PyPI page
Home page
Author:
Scientific AI (Hamprecht Lab, Heidelberg University)
Summary:
OF-DFT using machine learning
Latest version:
0.0.2
Required dependencies:
ase
|
basis-set-exchange
|
e3nn
|
geometric
|
gitpython
|
gpustat
|
h5py
|
huggingface-hub
|
hydra-colorlog
|
hydra-core
|
hydra-optuna-sweeper
|
lightning
|
lmdb
|
loguru
|
notebook
|
numcodecs
|
numpy
|
opt-einsum
|
polars
|
pypdf
|
pyscf
|
pyvista
|
rdkit
|
rich
|
rootutils
|
scikit-learn
|
seaborn
|
sphinx
|
sphinx-rtd-theme
|
tensorboard
|
torch
|
torch-geometric
|
torchaudio
|
torchmetrics
|
torchvision
|
tqdm
|
zarr
Downloads last day:
2
Downloads last week:
22
Downloads last month:
29