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chenggroup/ai2-kit

A command line and python toolkit featured artificial intelligence × ab initio for complex chemistry systems research.

PythonMITActif & fréquent · Mis à jour il y a 3j#ai4science #ase #chemistry #cp2k #deepmd #dft #dpdata #hpc

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Next Milestone: 500 (400 stars to go)

2026-11-08: 100

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