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Achievement: Pair ExtraordinaireAchievement: QuickdrawAchievement: Pull Sharkx2Achievement: YOLO

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MolSSI / QCElemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

Python 198 79 Updated Aug 3, 2026

CrawfordGroup / ProgrammingProjects

C++ Programming Tutorial in Chemistry

579 158 Updated Dec 30, 2022

hjkgrp / jobmanager

Python 1 Updated Aug 5, 2026

hjkgrp / molSimplify

molSimplify code

Python 228 60 Updated May 27, 2026