An automatic reaction network generator for reactive molecular dynamics simulation.

Last update: Dec 14, 2022

Overview

ReacNetGenerator

An automatic reaction network generator for reactive molecular dynamics simulation.

ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamic simulations, Phys. Chem. Chem. Phys., 2020, 22 (2): 683–691, doi: 10.1039/C9CP05091D

[email protected] (Jinzhe Zeng), [email protected] (Tong Zhu)

Features

Processing of MD trajectory containing atomic coordinates or bond orders
Hidden Markov Model (HMM) based noise filtering
Isomers identifying accoarding to SMILES
Generation of reaction network for visualization using force-directed algorithm
Parallel computing

Guide and Tutorial

You can install ReacNetGenerator with conda:

conda install reacnetgenerator -c conda-forge
reacnetgenerator -h

See the guide to learn how to install and use ReacNetGenerattor. We also provide a series of tutorials to help you learn ReacNetGenerator.

Awards

The First Prize in 2019 (the 11th Session) Shanghai Computer Application Competition for College Students
The First Prize in 2019 (the 12th Session) Chinese Computer Design Competition for College Students

Acknowledge

National Natural Science Foundation of China (Grants No. 91641116)
National Innovation and Entrepreneurship Training Program for Undergraduate (201910269080)
ECNU Multifunctional Platform for Innovation (No. 001)

Comments

Some species not showing in the network, OpenBabel errors

Thanks for making your code available! I tried to use it to analyze a certain trajectory but I'm getting 5 errors of this type: *** Open Babel Error in ParseComplex SMILES string contains a character '[' which is invalid How can I debug this to find out what the offending SMILES was? Moreover, some species are not displayed in the html (just empty boxes). Nevertheless, OpenBabel is able to generate their depictions correctly, for example via this command: obabel -ismi s.smiles -osvg Unfortunately I cannot share my example due to its confidential nature. I will appreciate any advice!
bug released

opened by mkrompiec 12
fix(deps): update dependency terser-webpack-plugin to v1.4.1
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This PR contains the following updates:

| Package | Type | Update | Change | |---|---|---|---| | terser-webpack-plugin | dependencies | minor | 1.3.0 -> 1.4.1 |

Release Notes

webpack-contrib/terser-webpack-plugin

v1.4.1

Compare Source

v1.4.0

Compare Source

Features

generate higher quality SourceMaps (#109) (9d777f0)

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PR: merged size/M released
opened by renovate[bot] 8
fix: [reacnetgenerator/static/webpack] Upgrade webpack-cli: 3.3.1 → 3.3.2 (patch)
Here is everything you need to know about this upgrade. Please take a good look at what changed and the test results before merging this pull request.

What changed?

✳️ webpack-cli (3.3.1 → 3.3.2) · Repo · Changelog

Release Notes

3.3.2 (from changelog)

Full Changelog

New Features

opencollective prompt: add option to disable it + doc (d4643ae)

terser: clean old files (89e6b74)

terser: remove leftover files (27d5b4d)

terser: replace after merging master (c404655)

replace Uglify with Terser in generators (2b8651b)

use terserPlugin in loaderOptionsPlugin (14f5337)

use terserJsPlugin for transformations during migrate (33c6185)

replace uglifyJsPlugin with terserPlugin in migrate (d467f3b)

opencollective prompt: work on windows setting atime by code (3af73a8)

opencollective prompt: fix typo (c2351b1)

opencollective prompt: remove .lastocprint file from fs (b96ad56)

opencollective prompt: extract weekday to variable (790d27a)

opencollective prompt: set terminal cols to 80 (badc32d)

opencollective prompt: fix azure ci (ea0039a)

opencollective prompt: lint (ea906d8)

opencollective prompt: clear package.json modifications (f080733)

opencollective prompt: add prompt in postinstall script (dd9d528)

Ast

change tooltip property from uglify to terser (ea9e4b8)

replace requires and inits for uglify with terser (3011a6c)

replace UglifyJsPlugin with TerserPlugin (21da35f)

Chore

cli: move constants to a separate file (#798)

deps: fix security vulnerabilities (#857)

deps: upgrade lerna to fix vulnerabilities & update webpack-dev-server (#823)

docs: minor fixes in the docs (#874)

docs: removes scaffolding docs from the root (8c1db03)

junit: reverting the junit.xml (80fd4fa)

travis: removed stable (#871)

types: move to @types/yeoman-generator (#869)

addon generator to async/await (#849)

v.3.1.1 (d3f8e20)

tests: updated test regex, some helper scripts (#809)

types: add type information (#791)

replace instances of uglify with terser (f9cb8ce)

use actual package name in comment about removing uglify (b1cf4cc)

align file in the same way as other terserPlugin test fixtures (b6c6484)

remove gitHash from package.json (2af08be)

Docs

code of conduct (#873)

contribute: adds table of contents and info about dependencies. (#842)

contributing: fixes dead link (#835)

opencollective prompt: improve code clarity (55992a4)

packages: adds downloads/month shield (6a0375a)

readme: fix typos, add summary of all commands (#845)

readme: adds contributors shield (958d064)

README: phrase change (3a11a16)

README: add link to webpack-scaffold-starter (e35a194)

README: update scaffolding links (74179b5)

serve: link to webpack-dev-server (cb68b1b)

serve: update docs to use webpack-dev-server (f7451d4)

replace tooltip link to terser plugin (4254730)

replace Uglify with Terser in comments (799577d)

replace UglifyJsPlugin with TerserPlugin in migrate docs (326f783)

Enh

webpack-scaffold: improve prompt and doc (#794)

Fix

add: add types (d4ce6f2)

add: fix runTransform (dbc3e9e)

add: lint code (163b309)

add: add handling for topScope (1162cf5)

bin, serve: force default package export, add serve default (#815)

init: refactored the init.ts success message (#810)

opencollective prompt: fix grammar (246db42)

opencollective-prompt: check write permissions (5284b7e)

scaffold: config file is always generated at the project root (#801)

utils: refactors utils (7fe3543)

clear up comment about default function purpose (e48507d)

remove unused files (ec242ab)

reset files (9863445)

replace lookups for TerserPlugin in webpack.optimise (ef23fec)

Tests

update snapshots (ce9fbc8)

replace uglify with terser in ast-utils tests (73f493f)

migration: typescript (#613)

Misc

chore(docs): Refactors links for badges (#859)

opencollective-prompt: improve grammar (e17a26d)

Remove tslint in favour of eslint (#834)

cli: refactor functions into utils and config dirs, merge yargs options (#781)

utils: refactors scaffold (0b28fb3)

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depfu size/S
opened by depfu[bot] 7
fix(deps): pin dependencies
This PR contains the following updates:

| Package | Type | Update | Change | References | |---|---|---|---|---| | popper.js | dependencies | pin | ^1.15.0 -> 1.15.0 | homepage, source | | vuepress | devDependencies | pin | ^0.14.11 -> 0.14.11 | source |

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PR: merged size/XS squash when passing
opened by njzjz-bot 7
ValueError: Maximum BFS search size exceeded.

Hello, zeng My name is Changwei Liu. Thank you for your contribution to the analysis of the ReaxFF simulation. When I analyze the bonds.connect file including bond sequences produced by catalytic systems containing metal clusters, the following error occurs: ''' Traceback (most recent call last): File "/public1/home/scg3280/.conda/envs/0428_env/lib/python3.10/multiprocessing/pool.py", line 125, in worker result = (True, func(*args, **kwds)) File "/public1/home/scg3280/.conda/envs/0428_env/lib/python3.10/multiprocessing/pool.py", line 48, in mapstar return list(map(*args)) File "reacnetgenerator/_path.py", line 217, in reacnetgenerator._path._CollectSMILESPaths._calmoleculeSMILESname File "reacnetgenerator/_path.py", line 129, in reacnetgenerator._path._CollectPaths.convertSMILES ValueError: Maximum BFS search size exceeded. This is likely due to a highly symmetric fused ring system. ''' How to solve this error? Thank you very much.

opened by Y11190003 6
Error when processing the bond file of a Fe/C/H/O system

Hello,

I am trying to run reacnetgenerator using the command "reacnetgenerator --type bond -i bonds.reaxc -a Fe C H O -n 4" on the bond file of a Fe/C/H/O system. But I get the following error:

2021-12-07 13:10:31,604 - ReacNetGen 1.4.165 - INFO: Version: 1.4.165 Creation date: 2018-03-11 Read bond information and Detect molecules: 0timestep [00:06, ?timestep/s] 2021-12-07 13:10:37,887 - ReacNetGen 1.4.165 - ERROR: run_mp failed multiprocessing.pool.RemoteTraceback: """ Traceback (most recent call last): File "/home/ekritikos/anaconda3/lib/python3.8/multiprocessing/pool.py", line 125, in worker result = (True, func(*args, **kwds)) File "/home/ekritikos/anaconda3/lib/python3.8/multiprocessing/pool.py", line 48, in mapstar return list(map(*args)) File "reacnetgenerator/_detect.py", line 193, in reacnetgenerator._detect._DetectLAMMPSbond._readstepfunc File "reacnetgenerator/_detect.py", line 144, in reacnetgenerator._detect._Detect._connectmolecule File "reacnetgenerator/dps.pyx", line 37, in reacnetgenerator.dps.dps TypeError: 'NoneType' object is not iterable """

The above exception was the direct cause of the following exception:

Traceback (most recent call last): File "reacnetgenerator/utils.py", line 440, in reacnetgenerator.utils.run_mp File "/home/ekritikos/anaconda3/lib/python3.8/site-packages/tqdm/std.py", line 1180, in iter for obj in iterable: File "/home/ekritikos/anaconda3/lib/python3.8/multiprocessing/pool.py", line 448, in return (item for chunk in result for item in chunk) File "/home/ekritikos/anaconda3/lib/python3.8/multiprocessing/pool.py", line 868, in next raise value TypeError: 'NoneType' object is not iterable multiprocessing.pool.RemoteTraceback: """ Traceback (most recent call last): File "/home/ekritikos/anaconda3/lib/python3.8/multiprocessing/pool.py", line 125, in worker result = (True, func(*args, **kwds)) File "/home/ekritikos/anaconda3/lib/python3.8/multiprocessing/pool.py", line 48, in mapstar return list(map(*args)) File "reacnetgenerator/_detect.py", line 193, in reacnetgenerator._detect._DetectLAMMPSbond._readstepfunc File "reacnetgenerator/_detect.py", line 144, in reacnetgenerator._detect._Detect._connectmolecule File "reacnetgenerator/dps.pyx", line 37, in reacnetgenerator.dps.dps TypeError: 'NoneType' object is not iterable """

The above exception was the direct cause of the following exception:

Traceback (most recent call last): File "/home/ekritikos/anaconda3/bin/reacnetgenerator", line 11, in sys.exit(_commandline()) File "reacnetgenerator/commandline.py", line 59, in reacnetgenerator.commandline._commandline File "reacnetgenerator/reacnetgen.py", line 188, in reacnetgenerator.reacnetgen.ReacNetGenerator.runanddraw File "reacnetgenerator/reacnetgen.py", line 264, in reacnetgenerator.reacnetgen.ReacNetGenerator._process File "reacnetgenerator/_detect.py", line 108, in reacnetgenerator._detect._Detect.detect File "reacnetgenerator/_detect.py", line 117, in reacnetgenerator._detect._Detect._readinputfile File "reacnetgenerator/_detect.py", line 120, in reacnetgenerator._detect._Detect._readinputfile File "reacnetgenerator/utils.py", line 446, in run_mp File "reacnetgenerator/utils.py", line 440, in reacnetgenerator.utils.run_mp File "/home/ekritikos/anaconda3/lib/python3.8/site-packages/tqdm/std.py", line 1180, in iter for obj in iterable: File "/home/ekritikos/anaconda3/lib/python3.8/multiprocessing/pool.py", line 448, in return (item for chunk in result for item in chunk) File "/home/ekritikos/anaconda3/lib/python3.8/multiprocessing/pool.py", line 868, in next raise value TypeError: 'NoneType' object is not iterable

Did you ever come across such a problem? I would appreciate some feedback. Thank you in advance.

opened by ekritikos 6
chore(deps): lock file maintenance
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released
opened by renovate[bot] 6
chore(deps): bump webpack from 4.39.0 to 4.39.1 in /reacnetgenerator/static/webpack
Bumps webpack from 4.39.0 to 4.39.1.

Release notes

Sourced from webpack's releases.

v4.39.1

Bugfixes

fix problem that progress lines were too long on some terminals

fix a problem that ...100% is displayed instead of 100%

Commits

f29445d 4.39.1

1d98dad Merge pull request #9513 from webpack/bugfix/terminal-length

8006117 make status logging 1 char shorter

ff8946e update examples

5a9d029 Merge pull request #9512 from webpack/bugfix/100-percent

7cfe0e6 fix 100% progress output

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dependencies javascript PR: unreviewed size/M
opened by dependabot-preview[bot] 6
fix(deps): update dependency webpack to v4.39.1
This PR contains the following updates:

| Package | Type | Update | Change | |---|---|---|---| | webpack | dependencies | patch | 4.39.0 -> 4.39.1 |

Release Notes

webpack/webpack

v4.39.1

Compare Source

Bugfixes

fix problem that progress lines were too long on some terminals

fix a problem that ...100% is displayed instead of 100%

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PR: merged size/S released
opened by renovate[bot] 6
fix(deps): update dependency webpack-cli to v3.3.3
This PR contains the following updates:

| Package | Type | Update | Change | |---|---|---|---| | webpack-cli | dependencies | patch | 3.3.2 -> 3.3.3 |

Release Notes

webpack/webpack-cli

v3.3.3

Compare Source

Full Changelog

New Features

chore: Added type definitions for the data returned by envinfo (#921)

add htmlWebpackPlugin in development (88fcfa8)

add mergeHandler (248b9cc)

generators: add generated file templates (6be9291)

init: generate README (c090b17)

init: generate tsconfig (25ab7e6)

init: support ts in configuration (283e089)

init: wip typescript support (093a36d)

md: formats md before committing (#851)

webpack-scaffold: adds Input defaults, doc & tests (0a648f7)

Chore

monorepo version update (69f7683)

update jest snapshots (efe8c2a)

monorepo version update (12a38be)

lockfile updates (2608179)

v.3.2.2 until mnorepo versioning (25c6e7b)

update utils version for init pkg (67b3dc7)

monorepo version update (ace0d4a)

lerna independent (16079a1)

sec fixes (b9711e8)

sec patch monorepo (9b78911)

v.3.3.3 (d577b0c)

ast-utils: undo return statements as per review (418c72c)

dep: commit lock (5a28a77)

dep: add eslint-plugin-prettier as dev dep (98ccd6f)

eslint: add eslint-prettier plugin (671abd5)

interfaces: minor modifications based on reviews (abb1a48)

lint: rm unused lint disables (ae4260a)

group imports (7fe04e9)

lint: fix code as per conflicting config (5bf847c)

reorder imports (0e0ba8a)

reorder imports (8a66c21)

reorder imports (57b47c3)

add some comments (95275ac)

lint: extend prettier config (5943f26)

lint: add eslint-config-prettier (4019049)

linting (ba0116a)

revise typo (a4597dd)

lint: format all files as per prettier plugin (f6992e6)

remove eslint disable comments (d72ac08)

use import instead of require (5ee4169)

update variable name (8e3f4ae)

update error message (8609b2b)

create questions.ts (7481974)

revise typo (be88ca9)

update lockfiles (a0216fe)

deps: update lock file (ea55cd5)

format: fix formatting using prettier (0b6437e)

infra: fix typo (98466d6)

infra: format all staged files on precommit (2a2e9a1)

infra: fix scripts to format files (876471c)

lint: fix lint warnings (#926)

refactored the add-generator (80713fc)

migrate: replaces console with process stream (1df301d)

refactor: use all utils from the root file in generators (faabbfb)

utils: add valueType (43040fe)

utils: refactor util types (e7c5170)

fix azure (19e039f)

utils: refactors modify config helper (39be039)

utils: refactors ast utils (9f35073)

add types to import functions (8b88980)

refactor serve command action handler (d2c7ae4)

keep lowercase (c01a80b)

formatting (20ff530)

add errors for invalid params (27c6198)

cli: fixes linting err (9f1deb2)

utils: seperates interfaces from the core module (d0a4177)

remove trivial type (5e23da2)

create isImportPresent (a89645a)

use replaceWith (6a7e662)

update prop name (55d237b)

update parseMerge (b6a438d)

fix linting (c7c1a83)

format and revise code w.r.t style (e9d426d)

make config const (445ab31)

update parseMerge (cf85535)

pluginarrlength for length of the plugin (4872416)

made condition strict (88eec7c)

update types of the config (a2c49e2)

update variable name (1323bbf)

revise SECURITY.md (2a9e304)

revise SECURITY.md (9cdc357)

revise version support (90f397c)

add JSDoc descriptions (e023d23)

lint (cb5a15f)

lint (0782944)

lint (5778bdf)

ci: add node 12 (#872)

cli: fixes code indentation (ff263f9)

cli: cleanup (ed4095f)

cli: remove findup-sync from package dir and move to utils (fe9c289)

cli: move constants to a separate file (#798)

plugins.ts: added if-stmt for native plugins (fc9e259)

refactor: move questions to utils (915c4ab)

refactor: add generator (66bde9f)

utils: fix deprecated babylon (99304c4)

loop change (818e43e)

add sec & versioning policy (5e33f8a)

add-generator: changed the naming of the plugin in config file (7fbc3a4)

github: add sponsor button (88f2408)

refactor: update package list (e5c7f67)

style: fixed the indentation (e583aab)

added a generatePluginName method in generators utils (7d83453)

refactor: move schema to utils (2299848)

refactor: add generator (d901d49)

util: use relative for now (5a0952e)

utils: use absolute path (00a6348)

CLI

fix watch options for array config (#892)

Docs

contribute: adds section seperator (cff0c55)

contribute: combines seperate sections for npm and yarn (aefa8eb)

contributing: updates the docs for the test (7656637)

fix link to webpack-scaffold (de0b4a0)

init: improve description (9856bab)

utils: update prettier (8b6d47b)

Fix

improve checking file permission (de41351)

chore: Minor fix (6810182)

use fork cause original repo is unmaintained (383125a)

add: apply suggestions (ccf0dce)

add: add handling of merge option (eb43443)

add: add handling of merge option (ce51a0a)

ci: fixes linting error in ci (cfc0117)

cli: updates err message (b5e1913)

cli: removes the comment before err handling block (ac5a53f)

cli: --config-register resolves relative to root (23375bd)

cli: removes func return in catch instance (7d31321)

cli: sets stack trace limit (869024f)

cli: err when no args passed, refactored nested conditional blocks (a9bc0bd)

cli: shows error message based on package manager (a3ce273)

cli: error when no webpack and args found (2250af0)

generator: fixed the support of native plugins in add command (123a150)

infra: fixes npm run docs (65c08e2)

formatting files (eb3909b)

remove type from inherited type (960e73a)

remove type from inherited type (0552f76)

change parser options (4e8bc76)

json module resolve (61697b8)

cli: improves error handling with args (cc64955)

generator: generate correct module.rule for babel & ts (263b83c)

generator: using configFile in configPath to get the config file name (#883)

genrators/utils/style: typo & fix (f46f4e5)

Tests

inputvalidate: remove undefined (fb25bd2)

Misc

update internal docs (7071b5c)

add lerna publish cmnd (5c8c6a1)

generators: remove comment (bd06a69)

generators: refactor (376dcbd)

generators: small text improvements (782f56c)

generators: improve prompts (ac35a31)

generators: refactor init-generator (d574846)

generators: refactor utils (17e4511)

generators/utils/style: refactor (392fcfe)

init: refactor with async/await (1b07d2b)

init: small refactor (4627ea1)

init-generator: improve readme (f971632)

init-generator: small refactor (dcf44c1)

init-generator: use webpackOption types, improve test rules (a650e0e)

init-generator: improve types & defaults (fb23aa4)

packages: complete rebase (488b06c)

types: correct types (85ef3e7)

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PR: merged size/S released
opened by renovate[bot] 6
chore(js): Update vuepress: 0.14.10 → 0.14.11 (minor)

Here is everything you need to know about this update. Please take a good look at what changed and the test results before merging this pull request.

What changed?

✳️ vuepress (0.14.10 → 0.14.11) · Repo · Changelog

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opened by depfu[bot] 6
chore(deps): lock file maintenance
This PR contains the following updates:

| Update | Change | |---|---| | lockFileMaintenance | All locks refreshed |

🔧 This Pull Request updates lock files to use the latest dependency versions.

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opened by renovate[bot] 2
chore(deps): update dependency query-string to v8
This PR contains the following updates:

| Package | Change | Age | Adoption | Passing | Confidence | |---|---|---|---|---|---| | query-string | 7.1.3 -> 8.1.0 | | | | |

Release Notes

sindresorhus/query-string

v8.1.0

Compare Source

Upgrade dependencies (#365) 20cc109

v8.0.3

Compare Source

Fix typo in a TypeScript type 7bba5bb

v8.0.2

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Improve compatibility with bundlers (#361) 81f78e6

v8.0.1

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Fix TypeScript compatibility 76f8fc5

v8.0.0

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Breaking

Require Node.js 14 c2ab7cd

This package is now pure ESM. Please read this.

Add "module": "node16", "moduleResolution": "node16" to your tsconfig.json. (Example)

And more!!!

Fixes

Fix encoding of fragmentIdentifier (#355) 16a7b8f

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opened by renovate[bot] 3
error with detecting species

Dear developer,

As shown in the picture, there is an unknown symbol in the red circle, which may be the overlap between O and H. And there is an unreasonable bond between Ca and O. What is the problem?

opened by yunjian-hash 1
Questions on detecting correct species and reaction route in Ca

Dear developers,

I am using reacnetgenerator to analyze the system containg Ca ions and SiO4 anions with water molecules. I want to find the reactions between the Ca ion and SiO4 anions. I found that the coordination number of Ca is not correct, which is no more than 4 in the results of the reacnetgenerator. in fact the coordination number of Ca is between the 4 to 7 with an average of 6.

In addition, there is a lot of the reactions between the water molecules, which is not the concerned reactions. Is there any methods to precludes these reactions? The attached is the initial structure. Thanks so much! Ca_Si_0.67.cif.txt

opened by yunjian-hash 3
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[ ] chore(deps): update dependency query-string to v8

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Detected dependencies

dockerfile

Dockerfile

python 3.11

python 3.11

github-actions

.github/workflows/codeql-analysis.yml

actions/checkout v3

github/codeql-action v2

github/codeql-action v2

.github/workflows/docker-publish.yml

actions/checkout v3

actions/checkout v3

.github/workflows/push.yml

actions/checkout v3

actions/setup-python v4

codecov/codecov-action v3

.github/workflows/pyright.yml

actions/setup-python v4

jakebailey/pyright-action v1

.github/workflows/testjs.yml

actions/setup-node v3

codecov/codecov-action v3

.github/workflows/website.yml

actions/setup-python v4

actions/cache v3

.github/workflows/wheel.yml

actions/checkout v3

actions/setup-python v4

actions/upload-artifact v3

actions/checkout v3

actions/setup-python v4

actions/upload-artifact v3

actions/download-artifact v3

npm

reacnetgenerator/static/webpack/package.json

@njzjz/jsnetworkx 0.3.5

@popperjs/core 2.11.6

animejs 3.2.1

bootstrap 5.2.3

bootstrap-select 1.14.0-beta3

d3 3.5.17

jquery 3.6.3

jsrender 1.0.12

magnific-popup 1.1.0

paginationjs 2.5.0

popper.js 1.16.1

query-string 7.1.3

regenerator-runtime 0.13.11

smiles-drawer 2.0.3

startbootstrap-creative 7.0.6

css-loader 6.7.3

css-minimizer-webpack-plugin 4.2.2

cssnano 5.1.14

cssnano-preset-advanced 5.3.9

html-inline-css-webpack-plugin 1.11.1

html-webpack-plugin 5.5.0

ifdef-loader 2.3.2

mini-css-extract-plugin 2.7.2

postcss 8.4.20

postcss-import 15.1.0

postcss-loader 7.0.2

sass 1.57.1

sass-loader 13.2.0

script-ext-html-webpack-plugin 2.1.5

string-replace-webpack-plugin 0.1.3

style-loader 3.3.1

terser-webpack-plugin 5.3.6

url-loader 4.1.1

webpack 5.75.0

webpack-cdn-plugin 3.3.1

webpack-cli 5.0.1

node >=10.x

yarn 3.3.1

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opened by renovate[bot] 0

Releases(v1.6.8)

v1.6.8(Nov 13, 2022)
Bugfix

fix typos in calculate_rate by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1781

Note: calculate_rate in previous versions gives wrong results. Please upgrade to the new version.

Other changes

chore(deps): update dependency sass to v1.56.1 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1774

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1773

chore(deps): update dependency postcss to v8.4.19 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1777

chore(deps): update dependency sass-loader to v13.2.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1776

build macos universal2 wheels by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1778

chore(deps): update dependency webpack to v5.75.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1775

chore(deps): update dependency jsrender to v1.0.12 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1779

chore(deps): update dependency css-loader to v6.7.2 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1780

Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.7...v1.6.8
Source code(tar.gz)
Source code(zip)
v1.6.7(Nov 5, 2022)
What's Changed

fix: move docutils deps to tox.ini by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1772

Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.6...v1.6.7
Source code(tar.gz)
Source code(zip)
v1.6.6(Nov 5, 2022)
What's Changed

limit the size of options in a select to 65536 by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1741

docs: migrate to sphinx book theme by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1742

docs: migrate to pydata-sphinx-theme by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1743

use openbabel native pbc implementation by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1744

deprecate base64 for compress block by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1745

fix: fix and minify docker images by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1746

docs: refactor and improve user guides by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1747

tests: test OB PBC bonds by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1749

docs: add text besides logo by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1750

add type check by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1751

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1752

docs: move ipynb files into docs by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1756

docs: revise docstring by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1757

docs: improve citations by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1758

docs: add an example to calculate_rate by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1759

removes basepython by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1760

chore(deps): update dependency cssnano to v5.1.14 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1761

chore(deps): update dependency cssnano-preset-advanced to v5.3.9 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1762

docs: add link to publications by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1763

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1764

chore(deps): update dependency sass to v1.56.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1767

add time to the route file by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1768

improve cli help by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1769

docs: add note about pip and python by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1770

docs: add analysis.ipynb by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1771

Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.5...v1.6.6
Source code(tar.gz)
Source code(zip)
v1.6.5(Oct 20, 2022)
What's Changed

chore(deps): update dependency postcss to v8.4.17 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1716

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1717

chore(deps): update dependency bootstrap to v5.2.2 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1718

chore(deps): update dependency sass-loader to v13.1.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1719

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1720

chore(deps): update dependency postcss to v8.4.18 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1721

chore(deps): update dependency regenerator-runtime to v0.13.10 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1722

fix coverage for multiprocessing by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1723

fetch nodejs from pypi by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1724

migrate from setup.py to pyproject.yaml by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1726

pin nodejs to 16; rollback to manylinux_2014 by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1727

move cibuildwheel config to pyproject.toml by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1728

use pypi nodejs to build docs by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1729

remove precss by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1731

switch to VF2; fallback when RDKit throws error by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1730

update project classifiers by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1733

use specific package level logger; update metadata by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1732

fix conda recipe; revise docs by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1734

replace optimize-css-assets-webpack-plugin with css-minimizer-webpack-plugin by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1735

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1736

show formula in selects by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1737

switch from VF2 to SMILES but fallback to VF2 when failed by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1738

build wheels on more platforms by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1739

minify docs by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1740

Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.4...v1.6.5
Source code(tar.gz)
Source code(zip)
v1.6.4(Sep 29, 2022)
Bugfix

fix compatible with hmmlearn v0.2.8 by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1714, https://github.com/tongzhugroup/reacnetgenerator/pull/1715

Other Changes

chore(deps): update dependency terser-webpack-plugin to v5.3.6 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1675

chore(deps): update dependency sass to v1.54.6 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1676

chore(deps): update dependency sass to v1.54.7 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1678

chore(deps): update dependency sass to v1.54.8 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1679

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1680

chore(deps): update dependency bootstrap to v5.2.1 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1681

chore(deps): update dependency sass to v1.54.9 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1682

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1691

bump docker image to py310 + nodejs16; do not pin digest by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1706

chore(deps): update dependency postcss-import to v15 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1677

cli: add choice to --type option by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1707

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1710

chore(deps): update dependency sass to v1.55.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1711

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1713

Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.3...v1.6.4
Source code(tar.gz)
Source code(zip)
v1.6.3(Aug 29, 2022)
What's Changed

fix undefined bootstrap issue by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1674

Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.2...v1.6.3
Source code(tar.gz)
Source code(zip)
v1.6.2(Aug 29, 2022)

What's Changed

fix some scripts and styles in the web page

Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.6.1...v1.6.2
Source code(tar.gz)
Source code(zip)
v1.6.1(Aug 10, 2022)

Fix an error during building wheels.
Source code(tar.gz)
Source code(zip)
v1.6.0(Aug 10, 2022)
What's Changed

chore(deps): update dependency postcss to v8.4.13 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1570

chore: copy fire.png to the web by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1571

chore(deps): update dependency sass to v1.51.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1566

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1572

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1573

chore(deps): update dependency webpack to v5.72.1 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1574

chore(deps): update dependency cssnano to v5.1.8 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1575

chore(deps): update dependency cssnano-preset-advanced to v5.3.4 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1576

chore(deps): update dependency postcss to v8.4.14 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1578

chore(deps): update dependency sass to v1.52.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1581

chore(deps): update dependency cssnano to v5.1.9 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1582

chore(deps): update dependency cssnano-preset-advanced to v5.3.5 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1583

chore(deps): update dependency sass to v1.52.1 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1584

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1585

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1586

chore(deps): update dependency cssnano to v5.1.10 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1588

chore(deps): update dependency cssnano-preset-advanced to v5.3.6 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1589

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1590

chore(deps): update dependency terser-webpack-plugin to v5.3.3 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1591

chore(deps): update dependency webpack to v5.73.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1592

chore(deps): update dependency cssnano to v5.1.11 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1594

chore(deps): update dependency cssnano-preset-advanced to v5.3.7 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1595

chore(deps): update dependency sass to v1.52.2 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1593

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1596

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1597

chore(deps): update dependency sass to v1.52.3 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1599

chore(deps): update dependency semantic-release to v19.0.3 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1600

chore(deps): update actions/setup-python action to v4 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1598

chore(docs): update HMM information in the docs by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1601

chore(deps): update github/codeql-action action to v2 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1565

chore: stop openbabel logging by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1602

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1603

chore(deps): update dependency webpack-cli to v4.10.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1604

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1605

chore(deps): update dependency mini-css-extract-plugin to v2.6.1 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1606

chore(deps): update the official rdkit package by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1607

chore(deps): update dependency cssnano to v5.1.12 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1608

chore(deps): update dependency cssnano-preset-advanced to v5.3.8 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1609

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1610

chore(docs): fix CDN errors by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1611

Migrate documentation to sphinx by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1612

fix online report page by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1613

add wheels for python 3.9 and 3.10; bump nodejs to 16 by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1614

chore(deps): update dependency postcss-loader to v7 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1579

chore(deps): update dependency sass-loader to v13 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1580

chore(deps): update dependency sass to v1.53.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1615

fix web backgroud image by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1616

add the methane tutorial by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1617

chore(deps): update dependency sass-loader to v13.0.1 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1618

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1619

chore(deps): update dependency sass-loader to v13.0.2 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1620

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1621

removed encrypted files by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1622

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1623

chore(deps): update dependency postcss-loader to v7.0.1 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1624

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1629

chore(deps): update dependency bootstrap to v4.6.2 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1631

chore(deps): update dependency sass to v1.54.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1632

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1633

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1634

chore(deps): update dependency webpack to v5.74.0 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1635

move unittest out of the package by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1637

fix reading atomic type from dump files by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1636

add test for detect by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1638

render SVG from smiles in the browser by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1641

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1642

add a tool to extract number of species by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1643

chore(deps): update dependency sass to v1.54.1 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1644

chore(deps): update dependency sass to v1.54.2 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1645

chore(deps): update dependency sass to v1.54.3 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1646

chore(deps): update dependency postcss to v8.4.16 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1647

chore(deps): lock file maintenance by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1648

add a tool to calculate rate constants by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1649

add cli argument to show version by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1651

add GUI cli to main cli by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1652

chore(deps): update dependency startbootstrap-creative to v7 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1185

chore(deps): update dependency bootstrap to v5 by @renovate in https://github.com/tongzhugroup/reacnetgenerator/pull/1145

write scm version to the package by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1654

Revert "add GUI cli to main cli" by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1656

add placeholder to SimpleLightbox by @njzjz in https://github.com/tongzhugroup/reacnetgenerator/pull/1655

Full Changelog: https://github.com/tongzhugroup/reacnetgenerator/compare/v1.5.2...v1.6.0
Source code(tar.gz)
Source code(zip)
v1.5.2(Apr 30, 2022)
1.5.2 (2022-04-30)

Bug Fixes

fix image issue (#1569) (37b038d)

Source code(tar.gz)
Source code(zip)
v1.5.1(Apr 30, 2022)
1.5.1 (2022-04-30)

Reverts

Revert "chore: fix website report image issue (#1568)" (9fc9644)

Source code(tar.gz)
Source code(zip)
v1.5.0(Apr 23, 2022)
1.5.0 (2022-04-23)

Features

Add a feature of merge isomers (#1563) (324d027)

Source code(tar.gz)
Source code(zip)
v1.4.166(Apr 14, 2022)
1.4.166 (2022-04-14)

Bug Fixes

fix two-character elements (#1537) (8a69089)

Source code(tar.gz)
Source code(zip)
v1.4.165(Jul 20, 2021)
1.4.165 (2021-07-20)

Bug Fixes

fix the breaking change in hmmlearn (#1239) (8ff6271)

Source code(tar.gz)
Source code(zip)
v1.4.164(Apr 2, 2021)
1.4.164 (2021-04-02)

Bug Fixes

add "oldest-supported-numpy" and remove numpy version range (#1084) (ac2a06a)

Source code(tar.gz)
Source code(zip)
v1.4.163(Mar 29, 2021)
1.4.163 (2021-03-29)

Bug Fixes

add openbabel and rdkit into install_require (#1073) (033dc0f)

Source code(tar.gz)
Source code(zip)
v1.4.162(Mar 25, 2021)
1.4.162 (2021-03-25)

Bug Fixes

processing two-character elements (#1067) (752bfbf)

Source code(tar.gz)
Source code(zip)
v1.4.161(Mar 25, 2021)

Source code(tar.gz)
Source code(zip)
v1.4.160(Mar 10, 2021)
1.4.160 (2021-03-10)

Bug Fixes

inject scripts to body (#1043) (8281123)

Source code(tar.gz)
Source code(zip)
v1.4.159(Mar 2, 2021)
1.4.159 (2021-03-02)

Bug Fixes

deps: update dependency jquery to v3.6.0 (0e22db1)

Source code(tar.gz)
Source code(zip)
v1.4.158(Feb 26, 2021)
1.4.158 (2021-02-26)

Bug Fixes

deps: update dependency query-string to v6.14.1 (a27930f)

Source code(tar.gz)
Source code(zip)
v1.4.157(Feb 23, 2021)
1.4.157 (2021-02-23)

Bug Fixes

deps: pin dependencies (b417bf6)

Source code(tar.gz)
Source code(zip)
v1.4.156(Feb 10, 2021)
1.4.156 (2021-02-10)

Bug Fixes

deps: update dependency query-string to v6.14.0 (942c95d)

Source code(tar.gz)
Source code(zip)
v1.4.155(Feb 8, 2021)
1.4.155 (2021-02-08)

Bug Fixes

deps: update dependency query-string to v6.13.8 (68eac02)

Source code(tar.gz)
Source code(zip)
v1.4.154(Feb 8, 2021)
1.4.154 (2021-02-08)

Bug Fixes

deps: update dependency jsrender to v1.0.11 (5a46f25)

Source code(tar.gz)
Source code(zip)
v1.4.153(Jan 19, 2021)
1.4.153 (2021-01-19)

Bug Fixes

deps: update dependency bootstrap to v4.6.0 (fb5d32f)

Source code(tar.gz)
Source code(zip)
v1.4.152(Jan 11, 2021)
1.4.152 (2021-01-11)

Bug Fixes

deps: update dependency jsrender to v1.0.10 (74d8746)

Source code(tar.gz)
Source code(zip)
v1.4.151(Dec 5, 2020)
1.4.151 (2020-12-05)

Bug Fixes

deps: update dependency jsrender to v1.0.9 (7097885)

Source code(tar.gz)
Source code(zip)
v1.4.150(Nov 5, 2020)
1.4.150 (2020-11-05)

Bug Fixes

deps: update dependency query-string to v6.13.7 (78abe35)

Source code(tar.gz)
Source code(zip)
v1.4.149(Nov 3, 2020)
1.4.149 (2020-11-03)

Bug Fixes

deps: update dependency startbootstrap-creative to v6.0.4 (b5e0e74)

Source code(tar.gz)
Source code(zip)

An automatic reaction network generator for reactive molecular dynamics simulation.

Related tags

Overview

ReacNetGenerator

Features

Guide and Tutorial

Awards

Acknowledge

Comments

Release Notes

Features

Renovate configuration

What changed?

✳️ webpack-cli (3.3.1 → 3.3.2) · Repo · Changelog

3.3.2 (from changelog)

New Features

Ast

Chore

Docs

Enh

Fix

Tests

Misc

Renovate configuration

Configuration

v4.39.1

Bugfixes

Release Notes

Bugfixes

Renovate configuration

Release Notes

New Features

Chore

CLI

Docs

Fix

Tests

Misc

Renovate configuration

What changed?

✳️ vuepress (0.14.10 → 0.14.11) · Repo · Changelog

Configuration

Release Notes

Breaking

Fixes

Configuration

Edited/Blocked

Open

Detected dependencies

Releases(v1.6.8)

v1.6.8(Nov 13, 2022)

Bugfix

Other changes

v1.6.7(Nov 5, 2022)

What's Changed

v1.6.6(Nov 5, 2022)

What's Changed

v1.6.5(Oct 20, 2022)

What's Changed

v1.6.4(Sep 29, 2022)

Bugfix

Other Changes

v1.6.3(Aug 29, 2022)

What's Changed

v1.6.2(Aug 29, 2022)

What's Changed

v1.6.1(Aug 10, 2022)

v1.6.0(Aug 10, 2022)

What's Changed

v1.5.2(Apr 30, 2022)

1.5.2 (2022-04-30)

Bug Fixes

v1.5.1(Apr 30, 2022)

1.5.1 (2022-04-30)

Reverts

v1.5.0(Apr 23, 2022)

1.5.0 (2022-04-23)

Features

v1.4.166(Apr 14, 2022)

1.4.166 (2022-04-14)