PyRank

Orb Python Packages

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

MLIP (Machine Learning Interatomic Potential) plugins for ML/MM MD simulations with AmberTools25.

600 1 1
klxuyfk
vpmdk

Run machine-learning potentials using VASP style inputs.

545 5 0
t-0hmura
orca-mlips

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

536 5 0
t-0hmura
g16-mlips

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

527 2 2
cloudysock
visdatcompy

Библиотека для сравнения визуальных наборов данных

38 1 0