PyPI page
Home page
Author:
Mohammad Mostafanejad
Summary:
Machine-learning interatomic potentials in PyTorch for molecular and periodic systems
Latest version:
0.14.3
Required dependencies:
numpy
|
pyyaml
|
torch
|
tqdm
Optional dependencies:
ase
|
dftd3
|
dftd4
|
e3nn
|
h5py
|
hydra-core
|
ipykernel
|
jupyter
|
mace-torch
|
matplotlib
|
myst-nb
|
nbconvert
|
nbformat
|
nequip
|
omegaconf
|
openmm
|
pydata-sphinx-theme
|
pymdi
|
pytest
|
rdkit
|
sphinx
|
sphinx-copybutton
|
sphinx-design
|
sphinx-togglebutton
|
tensorboard
|
tomli
|
torchani
|
vesin-torch
Downloads last day:
192
Downloads last week:
1,197
Downloads last month:
842
7-day smoothing