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Author:
Sudheesh Kumar Ethirajan
License:
Summary:
DeepMD-kit integration with Parsl workflow tools to accelerate development of Deep Potentials
Latest version:
0.0.0
Required dependencies:
chemiscope
|
deepmd-kit
|
dpdata
|
dscribe
|
parsl
|
pymatgen
|
rdkit
|
scikit-learn
|
seaborn
|
skmatter
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