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32 matching products · 32 products on page 1. Filters search the whole catalog.

research-toolingResearch Tooling & Frameworks
Molecular Dynamics ToolkitsOpen Source

OpenMM

Software Toolkit · Open Source

High-performance GPU toolkit for molecular dynamics simulation and machine learning integration

Stanford University (Pande Lab)

Free Open Source
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research-imagingResearch Imaging & Microscopy
Cryo-EM 3D ReconstructionOpen Source

RELION-5

Scientific Software · Open Source

Empirical Bayesian approach for cryo-EM single-particle structure determination

MRC Laboratory of Molecular Biology (Scheres Lab)

Free Open Source
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drug-discoveryAI Drug Discovery
Molecular Docking

GNINA

Research software / model · Public code / project terms

Molecular docking with convolutional neural-network scoring

GNINA contributors

See project terms; compute costs may apply
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bio-modelsBiological AI Models
Protein Structure

Protenix

Research software / model · Public code / project terms

Biomolecular structure prediction with a public research implementation

ByteDance / Protenix contributors

See project terms; compute costs may apply
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drug-discoveryAI Drug Discovery
Molecular Property Prediction

Uni-Mol

Research software / model · Public code / project terms

Learning molecular representations from three-dimensional conformations

DeepModeling / Uni-Mol contributors

See project terms; compute costs may apply
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