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isayevlab
/
protonator-models
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Isayev Lab at CMU
2
protonator
chemistry
cheminformatics
pka
logp
logs
solubility
tmelt
melting-point
dmpnn
molecular-property-prediction
License:
mit
Model card
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main
protonator-models
1.25 GB
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1 contributor
History:
33 commits
isayev
Document tmelt_mpnn (melting-temperature) model + benchmarks
f1cb26c
verified
about 12 hours ago
logp_mpnn
Upload logp_mpnn/config.json with huggingface_hub
21 days ago
logs_mpnn
Upload logs_mpnn/config.json with huggingface_hub
21 days ago
pka_mpnn
Upload pka_mpnn/config.json with huggingface_hub
19 days ago
solvation_mpnn
Upload solvation_mpnn/config.json with huggingface_hub
18 days ago
tmelt_mpnn
Add tmelt_mpnn: 10-model descriptor-infused D-MPNN melting-temperature ensemble
about 19 hours ago
.gitattributes
1.52 kB
initial commit
7 months ago
README.md
7.5 kB
Document tmelt_mpnn (melting-temperature) model + benchmarks
about 12 hours ago
