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Author:
Alin-Marin Elena, Junwen Yin, Susmita Basak, Jaehoon Cha, Gilberto Teobaldi
Summary:
Train and publish the models that choose DFT settings for you
Latest version:
0.2.3
Required dependencies:
data-collections-api
|
dscribe
|
matminer
|
numpy
|
pymatgen
|
scikit-learn
|
sklearn-quantile
|
torch
|
torch-geometric
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