mlip
Here are 6 public repositories matching this topic...
GUI for running simulations with universal machine learning interatomic potentials (MACE, CHGNet, SevenNet, Nequix, ORB, MatterSim, PET-MAD))
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Dec 19, 2025 - Python
This repo contains data and scripts for MLIPs for borophene on silver
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Jul 10, 2025 - Python
Library for efficient training and application of Deep Interatomic Potential Models (DIPM)
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Dec 17, 2025 - Python
Windows GUI for running PES scan by xTB or uma/omol25.
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Aug 15, 2025 - Python
Python module to generate adsorption training structures using BOSS and MACE
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Jun 19, 2025 - Python
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