PyPI page
Author:
Janine George
Summary:
Automated machine-learned Potential Landscape explorer
Latest version:
0.3.2
Required dependencies:
ase
|
atomate2
|
f90wrap
|
hiphive
|
numpy
|
pymatgen
|
quippy-ase
|
torch
|
typing
Optional dependencies:
ase
|
atomate2
|
autodoc-pydantic
|
calorine
|
dgl
|
fireworks
|
hiphive
|
ipython
|
jobflow-remote
|
jsonschema
|
mace-torch
|
matgl
|
myst-nb
|
myst-parser
|
nbconvert
|
nbmake
|
nequip
|
numpy
|
numpydoc
|
pandas
|
pre-commit
|
psutil
|
pyfhiaims
|
pytest
|
pytest-cov
|
pytest-mock
|
pytest-split
|
quippy-ase
|
ruamel-yaml
|
scikit-learn
|
scipy
|
sphinx
|
sphinx-book-theme
|
sphinx-copybutton
|
sphinx-design
|
sphinxcontrib-mermaid
|
torch
|
torchdata
|
types-setuptools
|
typing
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