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: 06 Apr 2025
https://github.com/cclib/cclib.jl
Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python package).
cclib computational-chemistry hacktoberfest julia pycall quantum-chemistry
Last synced: 21 Oct 2025
