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Python Implementation of Reinforcement Learning: An Introduction

Python 13,801 4,864 Updated Aug 9, 2024

Practical Cheminformatics Tutorials

Jupyter Notebook 868 156 Updated Nov 17, 2024

List of papers about Proteins Design using Deep Learning

1,546 186 Updated Feb 8, 2025

Package for Retrosynthetic Planning

Python 131 20 Updated Dec 1, 2024

Official data repository for the Open Reaction Database

253 66 Updated Feb 9, 2025

gReLU is a python library to train, interpret, and apply deep learning models to DNA sequences.

Python 243 26 Updated Feb 5, 2025

A package to identify matched molecular pairs and use them to predict property changes.

Python 221 62 Updated Jan 12, 2025

A curated list of Cheminformatics libraries and software.

719 116 Updated Mar 15, 2024

A curated list of Python packages related to chemistry

1,175 216 Updated Oct 8, 2024

List of Molecular and Material design using Generative AI and Deep Learning

730 98 Updated Feb 8, 2025