_Components
This directory contains 13 workflows.
Job control
Schrodinger Job control: Lists or reports information about the running or run Schrodinger calculations. Author: Schrodinger
Membrane permeability
Membrane permeability: Calculates an estimated passive membrane permeability for a ligand structure by comparing the energy optimized conformations of that […]
Periodic descriptors
Periodic descriptors: Generate of descriptors that can be used in a machine learning model to predict bulk properties such as ionic conductivity, band gap, […]