sterimol-parameters topic

DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure format

patonlab

Calculate Sterimol Parameters from Sructure Input/Output Files

patonlab

Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents

patonlab

Python tools for automating routine tasks encountered when running quantum chemistry computations.

QChASM