PyPI page
Home page
License:
GNU General Public License v3 (GPLv3)
Summary:
Python suite for exploring potential energy surfaces.
Latest version:
1.0.0
Required dependencies:
autograd
|
dask
|
distributed
|
fabric
|
h5py
|
jax
|
jinja2
|
matplotlib
|
natsort
|
networkx
|
numba
|
numpy
|
optuna
|
pandas
|
psutil
|
pyyaml
|
rmsd
|
scikit-learn
|
scipy
|
sympy
Optional dependencies:
ase
|
pyscf
|
pytest
|
pytest-cov
|
qcengine
|
sphinx
|
sphinx-autodoc-typehints
|
sphinx-rtd-theme
|
trexio
|
ursina
Downloads last day:
28
Downloads last week:
241
Downloads last month:
632
7-day smoothing