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bio-modelsBiological AI Models
Protein Dynamics

BioEmu

Research software / model · Public code / project terms

Generative approximation of protein structural ensembles

Microsoft Research / BioEmu contributors

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

ESMFold

Research software / model · Public code / project terms

Protein structure inference from sequence with a protein language model

Meta AI / ESM contributors

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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

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bio-modelsBiological AI Models
Protein Structure

OpenFold

Research software / model · Public code / project terms

Trainable PyTorch implementation of the AlphaFold 2 approach

AlQuraishi Laboratory / OpenFold contributors

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drug-discoveryAI Drug Discovery
Target Discovery

PandaOmics

Commercial research software · Provider account / licence

AI-assisted target identification and prioritization

Insilico Medicine

Contact provider for current pricing
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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

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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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