Topic: sterimol-parameters Goto Github
Some thing interesting about sterimol-parameters
Some thing interesting about sterimol-parameters
sterimol-parameters,DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure format
Organization: patonlab
Home Page: http://www.patonlab.colostate.edu
sterimol-parameters,Calculate Sterimol Parameters from Sructure Input/Output Files
Organization: patonlab
Home Page: http://www.patonlab.com
sterimol-parameters,Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
Organization: patonlab
Home Page: http://patonlab.colostate.edu
sterimol-parameters,Python tools for automating routine tasks encountered when running quantum chemistry computations.
Organization: qchasm
Home Page: https://aarontools.readthedocs.io/en/latest/
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