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SyntheticGestalt

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  1. espsim espsim Public

    Forked from souramoo/espsim

    Scoring of shape and ESP similarity with RDKit

    Jupyter Notebook

  2. egnn-pytorch egnn-pytorch Public

    Forked from souramoo/egnn-pytorch

    Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch

    Python

  3. REINVENT4-DEPRECATED REINVENT4-DEPRECATED Public

    Forked from MolecularAI/REINVENT4

    AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

    Python

  4. sgmmpdb sgmmpdb Public

    Forked from rdkit/mmpdb

    A package to identify matched molecular pairs and use them to predict property changes. Forked to fix versioning issues.

    Python

Repositories

Showing 4 of 4 repositories
  • sgmmpdb Public Forked from rdkit/mmpdb

    A package to identify matched molecular pairs and use them to predict property changes. Forked to fix versioning issues.

    Python 0 65 0 0 Updated Apr 16, 2024
  • REINVENT4-DEPRECATED Public Forked from MolecularAI/REINVENT4

    AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

    Python 0 Apache-2.0 107 0 0 Updated Apr 12, 2024
  • egnn-pytorch Public Forked from souramoo/egnn-pytorch

    Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch

    Python 0 MIT 78 0 0 Updated Mar 14, 2024
  • espsim Public Forked from souramoo/espsim

    Scoring of shape and ESP similarity with RDKit

    Jupyter Notebook 0 MIT 49 0 0 Updated Mar 14, 2024

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