A chemical analysis of lipophilicities & molecule drawings including ML

Overview

A chemical analysis of lipophilicity & molecule drawings including a bit of ML analysis.


license twitter


This is a simple project that includes two Jupyter files (one about lipophilicity & the other about drawing structures) with a few data files like this. An analysis of lipophilicity & molecule drawings are shown through simple chemistry projects that looks at lipophilicity of drug molecules through ML and molecule drawings through RDKit.

Project of a chemical analysis implementing machine learning is almost finished.

Public

The folder includes logo while additional files removed through to save space.

License

LICENSE

Owner
Aurimas A. Nausėdas
Developer, Data Engineer, and a graduate of The University of Edinburgh. Passionate about creating things.
Aurimas A. Nausėdas
This is the code used in the paper "Entity Embeddings of Categorical Variables".

This is the code used in the paper "Entity Embeddings of Categorical Variables". If you want to get the original version of the code used for the Kagg

Cheng Guo 845 Nov 29, 2022
[ICLR'21] Counterfactual Generative Networks

This repository contains the code for the ICLR 2021 paper "Counterfactual Generative Networks" by Axel Sauer and Andreas Geiger. If you want to take the CGN for a spin and generate counterfactual ima

88 Jan 02, 2023
StarGAN - Official PyTorch Implementation (CVPR 2018)

StarGAN - Official PyTorch Implementation ***** New: StarGAN v2 is available at https://github.com/clovaai/stargan-v2 ***** This repository provides t

Yunjey Choi 5.1k Jan 04, 2023
Naszilla is a Python library for neural architecture search (NAS)

A repository to compare many popular NAS algorithms seamlessly across three popular benchmarks (NASBench 101, 201, and 301). You can implement your ow

270 Jan 03, 2023
Matching python environment code for Lux AI 2021 Kaggle competition, and a gym interface for RL models.

Lux AI 2021 python game engine and gym This is a replica of the Lux AI 2021 game ported directly over to python. It also sets up a classic Reinforceme

Geoff McDonald 74 Nov 03, 2022
This is the official PyTorch implementation for "Mesa: A Memory-saving Training Framework for Transformers".

Mesa: A Memory-saving Training Framework for Transformers This is the official PyTorch implementation for Mesa: A Memory-saving Training Framework for

Zhuang AI Group 105 Dec 06, 2022
[ICCV 2021] Relaxed Transformer Decoders for Direct Action Proposal Generation

RTD-Net (ICCV 2021) This repo holds the codes of paper: "Relaxed Transformer Decoders for Direct Action Proposal Generation", accepted in ICCV 2021. N

Multimedia Computing Group, Nanjing University 80 Nov 30, 2022
Official implementation of NPMs: Neural Parametric Models for 3D Deformable Shapes - ICCV 2021

NPMs: Neural Parametric Models Project Page | Paper | ArXiv | Video NPMs: Neural Parametric Models for 3D Deformable Shapes Pablo Palafox, Aljaz Bozic

PabloPalafox 109 Nov 22, 2022
Codebase for BMVC 2021 paper "Text Based Person Search with Limited Data"

Text Based Person Search with Limited Data This is the codebase for our BMVC 2021 paper. Please bear with me refactoring this codebase after CVPR dead

Xiao Han 33 Nov 24, 2022
An open source Python package for plasma science that is under development

PlasmaPy PlasmaPy is an open source, community-developed Python 3.7+ package for plasma science. PlasmaPy intends to be for plasma science what Astrop

PlasmaPy 444 Jan 07, 2023
buildseg is a building extraction plugin of QGIS based on PaddlePaddle.

buildseg buildseg is a building extraction plugin of QGIS based on PaddlePaddle. TODO Extract building on 512x512 remote sensing images. Extract build

Yizhou Chen 11 Sep 26, 2022
Grad2Task: Improved Few-shot Text Classification Using Gradients for Task Representation

Grad2Task: Improved Few-shot Text Classification Using Gradients for Task Representation Prerequisites This repo is built upon a local copy of transfo

Jixuan Wang 10 Sep 28, 2022
A reimplementation of DCGAN in PyTorch

DCGAN in PyTorch A reimplementation of DCGAN in PyTorch. Although there is an abundant source of code and examples found online (as well as an officia

Diego Porres 6 Jan 08, 2022
A PyTorch implementation of "DGC-Net: Dense Geometric Correspondence Network"

DGC-Net: Dense Geometric Correspondence Network This is a PyTorch implementation of our work "DGC-Net: Dense Geometric Correspondence Network" TL;DR A

191 Dec 16, 2022
Feature extraction made simple with torchextractor

torchextractor: PyTorch Intermediate Feature Extraction Introduction Too many times some model definitions get remorselessly copy-pasted just because

Antoine Broyelle 89 Oct 31, 2022
Time series annotation library.

CrowdCurio Time Series Annotator Library The CrowdCurio Time Series Annotation Library implements classification tasks for time series. Features Suppo

CrowdCurio 51 Sep 15, 2022
Fair Recommendation in Two-Sided Platforms

Fair Recommendation in Two-Sided Platforms

gourabgggg 1 Nov 10, 2021
Pytorch implementation of NeurIPS 2021 paper: Geometry Processing with Neural Fields.

Geometry Processing with Neural Fields Pytorch implementation for the NeurIPS 2021 paper: Geometry Processing with Neural Fields Guandao Yang, Serge B

Guandao Yang 162 Dec 16, 2022
Evaluation toolkit of the informative tracking benchmark comprising 9 scenarios, 180 diverse videos, and new challenges.

Informative-tracking-benchmark Informative tracking benchmark (ITB) higher diversity. It contains 9 representative scenarios and 180 diverse videos. m

Xin Li 15 Nov 26, 2022
The PyTorch implementation of Directed Graph Contrastive Learning (DiGCL), NeurIPS-2021

Directed Graph Contrastive Learning Paper | Poster | Supplementary The PyTorch implementation of Directed Graph Contrastive Learning (DiGCL). In this

Tong Zekun 28 Jan 08, 2023