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Projects in Awesome Lists tagged with cclib

A curated list of projects in awesome lists tagged with cclib .

https://github.com/patonlab/dbstep

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

cclib dft molecular-features steric-parameters sterimol-parameters

Last synced: 30 Dec 2024