ChemistryAtlas Code
isayev/ReLeaSE
Cheminformatics infrastructureGitHubsource codecheminformaticsdeeplearningdrug-discoverymolecular-modelingqsarreinforcement-learning
Deep Reinforcement Learning for de-novo Drug Design
Why it is useful: Cheminformatics infrastructure repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 369 stars, 136 forks, primary language: Jupyter Notebook.
Citation: GitHub repository: isayev/ReLeaSE