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1. mooreneural--lacuna mooreneural--lacuna Public

   Forked from mooreneural/lacuna

   Cryptic binding pocket discovery from conformational ensembles. Open-source, reproducible, size-robust benchmarks against fpocket, PocketMiner and CryptoBench.

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2. uibcdf--molsysmt uibcdf--molsysmt Public

   Forked from uibcdf/molsysmt

   Open source library to work with molecular systems

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3. uibcdf--molsysviewer uibcdf--molsysviewer Public

   Forked from uibcdf/molsysviewer

   A Mol*-powered 3D viewer for molecular systems, integrated naturally within the MolSysSuite ecosystem.

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4. uibcdf--pharmacophoremt uibcdf--pharmacophoremt Public

   Forked from uibcdf/pharmacophoremt

   A Pharmacophore MultiToolkit designed to simplify and streamline the detection, generation, analysis, comparison, and application of pharmacophore models in drug-design strategies.

   Jupyter Notebook

5. uibcdf--molsyssuite uibcdf--molsyssuite Public

   Forked from uibcdf/molsyssuite

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6. uibcdf--topomt uibcdf--topomt Public

   Forked from uibcdf/topomt

   A Molecular Topography MultiToolkit designed to simplify and streamline the detection, analysis, and characterization of protein pockets, cavities, channels, and binding sites.

   Jupyter Notebook