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sxm13 / PACMAN-charge

Forked from mtap-research/PACMAN-charge
Python 4 Updated Jun 22, 2025

xiaoruiDong / RDMC

Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.

Jupyter Notebook 27 2 Updated Apr 9, 2025

sxm13 / CoREMOF_tools

A Python Package used for CoRE MOF Database

Python 10 2 Updated Jun 22, 2025

rwest / RMG-Py

Forked from ReactionMechanismGenerator/RMG-Py

Python version of the amazing Reaction Mechanism Generator (RMG).

Python 6 3 Updated Jul 3, 2025

brucefan1983 / Molecular-Dynamics-Simulation

Sample codes for my book on molecular dynamics simulation

Jupyter Notebook 238 60 Updated Feb 4, 2025
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