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Pinned

  1. MolKGNN MolKGNN Public

    MolKGNN is a deep learning model for predicting biological activity or molecular properties. It features in 1. SE(3)-invariance 2. conformation-invariance 3. interpretability. MolKGNN uses a novel …

    Python 11 5

  2. Protein-flexibility Protein-flexibility Public

    Project of CS 8395 Open Source Programming for Medical Image Processing, Fall 2018 Vanderbilt. A program based on VTK library to show the distance of two conformations of a protein. The further the…

    C++ 1

  3. CatGD CatGD Public

    Python 2 1