Add pIC50 and IC50 to ligands.sdf file and fragalysis upload

choderalab / fah-xchem

Tools and infrastructure for automated compound discovery using Folding@home

MIT License

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Open jchodera opened 3 years ago

jchodera commented 3 years ago

We should add pCI50 and IC50 (in µM) to ligands.sdf and the fragalysis upload file