skills/deepchem/scripts/predict_solubility.py

• train_solubility_model · function · L19-L116 — def train_solubility_model(data_path=None, smiles_col='smiles', target_col='measured log solubility in mols per litre')
• predict_new_molecules · function · L119-L154 — def predict_new_molecules(model, smiles_list, transformers=None)
• main · function · L157-L219 — def main()