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Python 20 6 Updated Nov 20, 2025

Publication-quality molecular graphics.

Python 584 55 Updated Aug 13, 2026

QM/MM ForceFields

Python 2 1 Updated Jun 13, 2022

A package for atom-typing as well as applying and disseminating forcefields

Python 146 80 Updated Aug 10, 2026

NequIP is a code for building E(3)-equivariant interatomic potentials

Python 953 212 Updated Aug 12, 2026

OpenMM plugin to define forces with neural networks

C++ 220 32 Updated Jun 24, 2026

Automated workflow to predict multireference character of molecules in quantum chemistry calculation

Python 23 7 Updated Nov 3, 2022

Maplestory bot

C# 9 2 Updated Sep 24, 2021

Conda repo for installing molSimplify

Batchfile 1 Updated Jul 24, 2025