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Author:
Hyunwook Jung
License:
MIT
Summary:
Automated workflow for surface reactions.
Latest version:
0.3.1
Required dependencies:
arkimede
|
ase
|
autoadsorbate
|
dscribe
|
fhi-decaf
|
igraph
|
networkx
|
pandas
|
pymatgen
|
rdkit
|
scikit-learn
|
sella
|
wfl
Optional dependencies:
pre-commit
|
pytest
|
ruff
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