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AI & LLM Engineering · Python · learningmatter-mit/AtomisticSkills

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Build and run LAMMPS molecular dynamics with isolated MLIP-specific binaries (MACE, MatGL/CHGNet, FairChem) to avoid Python and Torch stack conflicts.

learningmatter-mit/AtomisticSkills176—~1.2kAutomated safety check: PassMIT3 days ago