Generative AI Virtual Screening
With state-of-the-art protein language models
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ipd
rfdiffusion
bionemo
biology
A generative model of protein backbones for protein binder design.
meta
esmfold
drug discovery
protein folding
Predicts the 3D structure of a protein from its amino acid sequence.
mit
diffdock
docking
drug discovery
Predicts the 3D structure of how a molecule interacts with a protein.
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nvidia
molmim-generate
drug discovery
molecule generation
MolMIM performs controlled generation, finding molecules with the right properties.