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@bpBrownLab

Brown Lab @ Vanderbilt

The official GitHub organization for the bpBrownLab at Vanderbilt University

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  1. CORDIAL CORDIAL Public

    Predicts small molecule - protein interaction affinities using convolutional representations of distance-dependent interactions with attention learning (CORDIAL).

    Python 19 7

  2. ncaa_workflow ncaa_workflow Public

    Scripts repository for Rosetta and MD simulation NCAA parameterization workflows

    Python 4

  3. FELP FELP Public

    Free Energy Landscape Perturbation

    Python 1

  4. 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++

  5. rosetta rosetta Public

    Forked from RosettaCommons/rosetta

    The Rosetta Bio-macromolecule modeling package.

    C++

  6. pykan pykan Public

    Forked from KindXiaoming/pykan

    Kolmogorov Arnold Networks

    Jupyter Notebook

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