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Author:
Zhiyuan Zhang
Summary:
A python package designed to communicate among various chemical and materials calculational tools
Latest version:
0.5.2.1
Required dependencies:
cclib
|
gpytorch
|
matplotlib
|
numpy
|
openpyxl
|
pandas
|
psutil
|
pyspark
|
rdkit
|
scikit-learn
|
seaborn
|
shap
|
thermo
|
torch
|
torch-geometric
|
tqdm
|
xgboost
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