ChemistryAtlas Code
kexinhuang12345/DeepPurpose
Docking and protein-ligand modelingGitHubsource codebioinformaticscovid19ddideep-learningdrug-discoverydrug-drug-interactiondrug-property-predictiondrug-repurposingdrug-target-interaction
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
Why it is useful: Docking and protein-ligand modeling repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 1161 stars, 303 forks, primary language: Jupyter Notebook.
Homepage: https://doi.org/10.1093/bioinformatics/btaa1005
Citation: GitHub repository: kexinhuang12345/DeepPurpose