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Author:
rlaplaza-lab
Summary:
Fast mechanistic explorer using machine learning potentials with Sella optimizer
Latest version:
0.2.2
Required dependencies:
ase
|
click
|
numpy
|
requests
|
sella
Optional dependencies:
fairchem-core
|
mypy
|
pytest
|
pytest-cov
|
ruff
|
scipy-stubs
|
types-psutil
|
types-requests
|
types-tqdm
|
upet
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