ecosystem-molsys

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Scindices / uibcdf--molsysmt

Open source library to work with molecular systems

status-active lang-python domain-structural-biology task-file-io task-structure-analysis method-chemoinformatics entity-protein entity-small-molecule interface-api status-published status-packaged-pypi status-packaged-conda method-physics domain-molecular-simulation entity-trajectory role-toolkit scope-swissknife task-system-model ecosystem-molsys

Updated Jul 28, 2026
Python

Scindices / uibcdf--molsyssuite

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MolSysSuite

status-active lang-python task-visualization domain-structural-biology method-chemoinformatics entity-protein entity-small-molecule interface-api domain-molecular-simulation role-toolkit scope-suite task-system-model ecosystem-molsys

Updated Mar 18, 2026
Python

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

Scindices / uibcdf--molsysviewer

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

status-active lang-python interface-web task-visualization domain-structural-biology method-chemoinformatics entity-protein entity-small-molecule interface-jupyter status-published scope-focused entity-trajectory role-viewer ecosystem-molsys

Updated Jul 27, 2026
Python

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.