Molpro

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Description

molprop website  

DESCRIPTION

MolPro is a comprehensive python package for small molecule generation using protein active site or/and similar molecules using 3D information of molecules with in-silico validation of molecules by docking, pharmacophore hypothesis, and off target prediction based on the binding site similarities.

Environment Modules

Run module spider </0.1> to find out what environment modules are available for this application.

System Variables

  • HPC_MOLPROP_DIR - installation directory
  • HPC_MOLPROP_BIN - binary directory