PeptiVerse / training_classifiers

1.55 GB

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15 contributors

History: 18 commits

ynuozhang

remove stray toxicity best_model.pt and non-best half_life model folders

e769c8d 24 days ago

binding_affinity
clean up legacy _smiles folders, stray diagnostic files, and half_life non-best models 24 days ago
half_life
remove stray toxicity best_model.pt and non-best half_life model folders 24 days ago
hemolysis
clean up legacy _smiles folders, stray diagnostic files, and half_life non-best models 24 days ago
nf
clean up legacy _smiles folders, stray diagnostic files, and half_life non-best models 24 days ago
permeability_caco2
clean up legacy _smiles folders, stray diagnostic files, and half_life non-best models 24 days ago
permeability_pampa
clean up legacy _smiles folders, stray diagnostic files, and half_life non-best models 24 days ago
permeability_penetrance
clean up legacy _smiles folders, stray diagnostic files, and half_life non-best models 24 days ago
solubility
clean up legacy _smiles folders, stray diagnostic files, and half_life non-best models 24 days ago
src_bash
clean up legacy _smiles folders, stray diagnostic files, and half_life non-best models 24 days ago
toxicity
remove stray toxicity best_model.pt and non-best half_life model folders 24 days ago
.gitignore

0 Bytes
update code 5 months ago
binding_training.py

16.4 kB
major update about 2 months ago
long_aggregated.csv

45.5 kB
xet

major update about 2 months ago
ml_uncertainty.py

5.41 kB
major update about 2 months ago
ml_uncertainty_reg.py

7.43 kB
major update about 2 months ago
refit_binding_affinity_seed.py

9.83 kB
major update about 2 months ago
refit_ml_walltime.py

7.61 kB
major update about 2 months ago
refit_nn_seed.py

11.9 kB
major update about 2 months ago
refit_regression_seed.py

12.5 kB
major update about 2 months ago
train_ml.py

16.8 kB
major update about 2 months ago
train_ml_regression.py

14.4 kB
update code 5 months ago
train_nn.py

15.5 kB
update code 5 months ago
train_nn_regression.py

15.6 kB
update code 5 months ago