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Topic: "point-group"

abelcarreras/pointgroup

Python library to determine the point group of molecular geometries

Language: Python - Size: 47.9 KB - Last synced at: about 1 month ago - Pushed at: 2 months ago - Stars: 11 - Forks: 4

alexandreklr/PGdet

A uni project developped to take an organic molecule written in SMILES and give back the point group

Language: Python - Size: 69.3 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 2 - Forks: 2