schrodinger.application.epik.phlash package

Epik pHlash: GNN-based protonation-state prediction at pH 7.4.

The backend entry point is phlash, which exposes the hot Protonator predictor plus a module-level protonate helper.

Importing this package is cheap, but importing the phlash submodule pulls in the heavy dependencies (torch, ligand_ml, torch_geometric), so those must be present to use the predictor.

Submodules

• schrodinger.application.epik.phlash.featurize module
• schrodinger.application.epik.phlash.inference module
• schrodinger.application.epik.phlash.phlash module