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klxuyfk
vpmdk

Run machine-learning potentials using VASP style inputs.

976 4 0
t-0hmura
amber-mlips

MLIP wrapper for AMBER QM/MM (UMA, ORB, MACE, AIMNet2)

335 1 1
t-0hmura
orca-mlips

MLIP (Machine Learning Interatomic Potential) plugins for ORCA ExtTool (ProgExt) interface.

281 4 0
t-0hmura
g16-mlips

MLIP (Machine Learning Interatomic Potential) plugins for Gaussian 16 External interface.

253 2 2
cloudysock
visdatcompy

Библиотека для сравнения визуальных наборов данных

52 1 0