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chgnet

Here are 4 public repositories matching this topic...

bracerino / uMLIP-Interactive

GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, UPET, GRACE)

genetic-algorithm molecular-dynamics ml phonons mace elastic-properties geometry-optimization streamlit point-defects bulk-modulus machine-learning-potential interatomic-potential machine-learning-interatomic-potential mlip elastic-constants chgnet sevennet nequix mattersim

Updated May 22, 2026
Python

klxuyfk / VPMDK

Run machine-learning potentials using VASP style inputs.

molecular-dynamics allegro vasp materials-science orb mace ase matris matlantis interatomic-potential nequip deepmd-kit chgnet sevennet nequix mattersim mace-torch

Updated May 18, 2026
Python

SMTG-Bham / AmorphGen

A Python package for amorphous structure generation by melt-quench simulation and random placement.

python machine-learning materials molecular-dynamics computational-chemistry materials-science mace semiconductor ase amorphous amorphous-materials chgnet melt-quench ramdom-structure-generation

Updated May 16, 2026
Jupyter Notebook

sakuralmt / Nonlinear-Phonon-Calculation

Staged workflow for nonlinear phonon screening and QE recheck.

phonons materials-science quantum-espresso high-throughput chgnet nonlinear-phonon

Updated Apr 3, 2026
Python

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