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protonator-models

cheminformatics

molecular-property-prediction

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protonator-models / pka_mpnn

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

0526d78 verified 1 day ago

config.json

2.95 kB
pka_mpnn: retrain with bifunctional amine+carboxyl augmentation (fixes amino-acid pKa swap) 1 day ago
fold_0.pt
Detected Pickle imports (3)
- "torch._utils._rebuild_tensor_v2",
- "collections.OrderedDict",
- "torch.FloatStorage"
What is a pickle import?
29.3 MB
xet

pka_mpnn: retrain with bifunctional amine+carboxyl augmentation (fixes amino-acid pKa swap) 1 day ago
fold_1.pt
Detected Pickle imports (3)
- "torch._utils._rebuild_tensor_v2",
- "torch.FloatStorage",
- "collections.OrderedDict"
What is a pickle import?
29.3 MB
xet

pka_mpnn: retrain with bifunctional amine+carboxyl augmentation (fixes amino-acid pKa swap) 1 day ago
fold_2.pt
Detected Pickle imports (3)
- "torch._utils._rebuild_tensor_v2",
- "collections.OrderedDict",
- "torch.FloatStorage"
What is a pickle import?
29.3 MB
xet

pka_mpnn: retrain with bifunctional amine+carboxyl augmentation (fixes amino-acid pKa swap) 1 day ago
fold_3.pt
Detected Pickle imports (3)
- "torch._utils._rebuild_tensor_v2",
- "torch.FloatStorage",
- "collections.OrderedDict"
What is a pickle import?
29.3 MB
xet

pka_mpnn: retrain with bifunctional amine+carboxyl augmentation (fixes amino-acid pKa swap) 1 day ago
fold_4.pt
Detected Pickle imports (3)
- "torch._utils._rebuild_tensor_v2",
- "collections.OrderedDict",
- "torch.FloatStorage"
What is a pickle import?
29.3 MB
xet

pka_mpnn: retrain with bifunctional amine+carboxyl augmentation (fixes amino-acid pKa swap) 1 day ago