Basis Set Format Converter

Overview

Basis Set Format Converter

Open in Streamlit

Repository for the online tool that allows you to enter a basis set in the form of text input for a variety of Quantum Chemistry softwares, and convert it to another format.

Web App is available here

Source code for the streamlit app is here.

The web app is powered by Basis Set Exchange Repository. In particular, this repo contains a specific branch of the Basis Set Exchange repository created by Susi Lehtola, which is available here.

Since, these repos are available under the BSD 3-Clause license, I have included them in this repository as is, however, I remind you about it nonetheless.

The only code written by me in this repo is in these two files: 1, 2.

Owner
Manas Sharma
Physicist
Manas Sharma
A Streamlit web-app for a data-science project that aims to evaluate if the answer to a question is helpful.

How useful is the aswer? A Streamlit web-app for a data-science project that aims to evaluate if the answer to a question is helpful. If you want to l

1 Dec 17, 2021
A Python package for the mathematical modeling of infectious diseases via compartmental models

A Python package for the mathematical modeling of infectious diseases via compartmental models. Originally designed for epidemiologists, epispot can be adapted for almost any type of modeling scenari

epispot 12 Dec 28, 2022
This is a python script to navigate and extract the FSD50K dataset

FSD50K navigator This is a script I use to navigate the sound dataset from FSK50K.

sweemeng 2 Nov 23, 2021
MEAD: A Large-scale Audio-visual Dataset for Emotional Talking-face Generation [ECCV2020]

MEAD: A Large-scale Audio-visual Dataset for Emotional Talking-face Generation [ECCV2020] by Kaisiyuan Wang, Qianyi Wu, Linsen Song, Zhuoqian Yang, Wa

112 Dec 28, 2022
A set of functions and analysis classes for solvation structure analysis

SolvationAnalysis The macroscopic behavior of a liquid is determined by its microscopic structure. For ionic systems, like batteries and many enzymes,

MDAnalysis 19 Nov 24, 2022
CRISP: Critical Path Analysis of Microservice Traces

CRISP: Critical Path Analysis of Microservice Traces This repo contains code to compute and present critical path summary from Jaeger microservice tra

Uber Research 110 Jan 06, 2023
DataPrep — The easiest way to prepare data in Python

DataPrep — The easiest way to prepare data in Python

SFU Database Group 1.5k Dec 27, 2022
A probabilistic programming language in TensorFlow. Deep generative models, variational inference.

Edward is a Python library for probabilistic modeling, inference, and criticism. It is a testbed for fast experimentation and research with probabilis

Blei Lab 4.7k Jan 09, 2023
MapReader: A computer vision pipeline for the semantic exploration of maps at scale

MapReader A computer vision pipeline for the semantic exploration of maps at scale MapReader is an end-to-end computer vision (CV) pipeline designed b

Living with Machines 25 Dec 26, 2022
Performance analysis of predictive (alpha) stock factors

Alphalens Alphalens is a Python Library for performance analysis of predictive (alpha) stock factors. Alphalens works great with the Zipline open sour

Quantopian, Inc. 2.5k Jan 09, 2023
We're Team Arson and we're using the power of predictive modeling to combat wildfires.

We're Team Arson and we're using the power of predictive modeling to combat wildfires. Arson Map Inspiration There’s been a lot of wildfires in Califo

Jerry Lee 3 Oct 17, 2021
Provide a market analysis (R)

market-study Provide a market analysis (R) - FRENCH Produisez une étude de marché Prérequis Pour effectuer ce projet, vous devrez maîtriser la manipul

1 Feb 13, 2022
BioMASS - A Python Framework for Modeling and Analysis of Signaling Systems

Mathematical modeling is a powerful method for the analysis of complex biological systems. Although there are many researches devoted on produ

BioMASS 22 Dec 27, 2022
MDAnalysis is a Python library to analyze molecular dynamics simulations.

MDAnalysis Repository README [*] MDAnalysis is a Python library for the analysis of computer simulations of many-body systems at the molecular scale,

MDAnalysis 933 Dec 28, 2022
Modular analysis tools for neurophysiology data

Neuroanalysis Modular and interactive tools for analysis of neurophysiology data, with emphasis on patch-clamp electrophysiology. Functions for runnin

Allen Institute 5 Dec 22, 2021
BasstatPL is a package for performing different tabulations and calculations for descriptive statistics.

BasstatPL is a package for performing different tabulations and calculations for descriptive statistics. It provides: Frequency table constr

Angel Chavez 1 Oct 31, 2021
General Assembly's 2015 Data Science course in Washington, DC

DAT8 Course Repository Course materials for General Assembly's Data Science course in Washington, DC (8/18/15 - 10/29/15). Instructor: Kevin Markham (

Kevin Markham 1.6k Jan 07, 2023
Data and code accompanying the paper Politics and Virality in the Time of Twitter

Politics and Virality in the Time of Twitter Data and code accompanying the paper Politics and Virality in the Time of Twitter. In specific: the code

Cardiff NLP 3 Jul 02, 2022
Utilize data analytics skills to solve real-world business problems using Humana’s big data

Humana-Mays-2021-HealthCare-Analytics-Case-Competition- The goal of the project is to utilize data analytics skills to solve real-world business probl

Yongxian (Caroline) Lun 1 Dec 27, 2021
signac-flow - manage workflows with signac

signac-flow - manage workflows with signac The signac framework helps users manage and scale file-based workflows, facilitating data reuse, sharing, a

Glotzer Group 44 Oct 14, 2022