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@devalab

Deva Lab

Research lab | ML4Molecular Science | Computational Chemistry I AI4Healthcare

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  1. molgpt molgpt Public

    Python 152 48

  2. DeepPocket DeepPocket Public

    Ligand Binding Site detection using Deep Learning

    Python 106 27

  3. CIGIN CIGIN Public

    AAAI 2020: Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules

    Jupyter Notebook 35 20

  4. MoleGuLAR MoleGuLAR Public

    Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards

    Jupyter Notebook 24 7

  5. BAND-NN BAND-NN Public

    J. Comp. Chem. 2020, 41, 790-799

    Python 11 3

  6. SCONES SCONES Public

    Self-Consistent Neural Network for Protein Stability Prediction upon Mutations

    Python 10 3

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