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  1. ncaa_tutorial ncaa_tutorial Public

    Demos for generating non-canonical amino acid parameters and rotamers in Rosetta

    Shell 3

  2. ParmEd ParmEd Public

    Forked from ParmEd/ParmEd

    Parameter/topology editor and molecular simulator

    Python

  3. bcl bcl Public

    Forked from BCLCommons/bcl

    The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. The…

    C++

  4. RFDesign RFDesign Public

    Forked from RosettaCommons/RFDesign

    Protein hallucination and inpainting with RoseTTAFold

    Python

  5. rdkit rdkit Public

    Forked from rdkit/rdkit

    The official sources for the RDKit library

    HTML

  6. MolGpKa MolGpKa Public

    Forked from Xundrug/MolGpKa

    The graph-convolutional neural network for pka prediction

    Python