Retrain pka_mpnn on combined experimental pKa (pKaHub + Enamine), random-split ensemble 97b404c verified isayev commited on about 1 hour ago
Document tmelt_mpnn (melting-temperature) model + benchmarks f1cb26c verified isayev commited on 8 days ago
Add tmelt_mpnn: 10-model descriptor-infused D-MPNN melting-temperature ensemble c3803d0 verified isayev commited on 8 days ago
Upload solvation_mpnn/config.json with huggingface_hub c6cc30d verified isayev commited on 25 days ago
Upload solvation_mpnn/ensemble_fold_4.pt with huggingface_hub 00b5361 verified isayev commited on 25 days ago
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Upload solvation_mpnn/ensemble_fold_2.pt with huggingface_hub be52b43 verified isayev commited on 25 days ago
Upload solvation_mpnn/ensemble_fold_1.pt with huggingface_hub c9a3683 verified isayev commited on 25 days ago
Upload solvation_mpnn/ensemble_fold_0.pt with huggingface_hub ee2dbdd verified isayev commited on 25 days ago