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Author:
Julian Holland
License:
MIT
Summary:
Active Learning framework for atomistic simulations with flexible workflows and HPC submission.
Latest version:
1.0.2
Required dependencies:
ase
|
deduplicate-lib
|
e3nn
|
expyre-wfl
|
ezga-lib
|
mace-torch
|
matplotlib
|
mp-api
|
numpy
|
polars
|
pymatgen
|
pyyaml
|
sage-lib
|
sevenn
|
tqdm
Optional dependencies:
myst-parser
|
sphinx
|
sphinx-rtd-theme
|
sphinxcontrib-napoleon
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