PyRank

Orb Python Packages

Python packages with the GitHub topic orb. Sorted by relevance, with stars and monthly downloads.
t-0hmura
amber-mlips

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

422 1 1
klxuyfk
vpmdk

Run machine-learning potentials using VASP style inputs.

412 5 0
t-0hmura
orca-mlips

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

351 4 0
t-0hmura
g16-mlips

MLIP plugins for Gaussian16 External (UMA, ORB, MACE, AIMNet2)

285 2 2
cloudysock
visdatcompy

Библиотека для сравнения визуальных наборов данных

76 1 0