isayevlab
/

protonator-models

cheminformatics

molecular-property-prediction

Model card Files Files and versions

protonator-models / pka_mpnn

Commit History

pka_mpnn: retrain with bifunctional amine+carboxyl augmentation (fixes amino-acid pKa swap)

0526d78
verified

isayev commited on 26 days ago

Retrain pka_mpnn on combined experimental pKa (pKaHub + Enamine), random-split ensemble

97b404c
verified

isayev commited on Jun 29

Upload pka_mpnn/config.json with huggingface_hub

407bdf1
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isayev commited on Jun 3

Upload pka_mpnn/fold_4.pt with huggingface_hub

920b3c7
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isayev commited on Jun 3

Upload pka_mpnn/fold_3.pt with huggingface_hub

ffd70e1
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isayev commited on Jun 3

Upload pka_mpnn/fold_2.pt with huggingface_hub

5ec48aa
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isayev commited on Jun 3

Upload pka_mpnn/fold_1.pt with huggingface_hub

9aa00f7
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isayev commited on Jun 3

Upload pka_mpnn/fold_0.pt with huggingface_hub

f595f35
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isayev commited on Jun 3