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ecosystem-molsys

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Scindices / uibcdf--topomt

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

status-active lang-python domain-structural-biology method-chemoinformatics entity-protein interface-api status-published domain-drug-discovery task-pocket-detection task-binding-site method-physics role-toolkit scope-suite ecosystem-molsys
  • Updated Jul 5, 2026
  • Jupyter Notebook

Scindices / uibcdf--pharmacophoremt

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

status-active lang-python domain-cheminformatics method-chemoinformatics entity-protein entity-small-molecule interface-api status-published domain-drug-discovery entity-complex role-toolkit scope-suite task-pharmacophore ecosystem-molsys
  • Updated May 26, 2026
  • Jupyter Notebook

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