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ecosystem-molsys
Here are 6 public repositories matching this topic...
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
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Jul 28, 2026 - Python
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
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May 26, 2026 - Jupyter Notebook
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
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Jul 5, 2026 - Jupyter Notebook
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
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Jul 27, 2026 - Python
An open library to work with pharmacophores.
role-library lang-python status-archived domain-cheminformatics method-chemoinformatics entity-protein entity-small-molecule interface-api status-published scope-focused domain-drug-discovery entity-complex task-pharmacophore ecosystem-molsys
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Jul 6, 2023 - Python
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