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Author:
Yuyang Wange, Rishikesh Magar, Cooper Lorsung, Hariharan Ramasubramanian, Chen Liang, Peiyuan Li, Amir Barati Farimani
License:
MIT
Summary:
Data augmentation of molecules and crystals.
Latest version:
0.1.9
Required dependencies:
ase
|
chardet
|
jupyter
|
matplotlib
|
numpy
|
pandas
|
pymatgen
|
pytest
|
pytest-cov
|
pyyaml
|
rdflib
|
rdkit-pypi
|
scikit-learn
|
tensorboard
|
torch
|
tqdm
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