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ecosystem-gnina

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Scindices / gnina--libmolgrid

Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows

status-active role-library lang-python lang-cpp method-deep-learning domain-cheminformatics entity-protein entity-small-molecule interface-api status-published status-packaged-pypi scope-focused domain-drug-discovery entity-complex task-featurization interface-gpu ecosystem-gnina lang-cuda

Updated Nov 3, 2025
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Scindices / gnina--gnina

A deep learning framework for molecular docking

status-active lang-cpp interface-cli method-deep-learning role-application domain-structural-biology entity-protein entity-small-molecule status-published scope-focused domain-drug-discovery task-docking method-physics entity-complex interface-gpu ecosystem-gnina lang-cuda

Updated Jun 29, 2026
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