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Author:
Harikrishna Sahu
Summary:
Gaussian Process Regression toolkit for materials informatics, including physics-informed mean functions.
Latest version:
0.2.0
Required dependencies:
gpytorch
|
joblib
|
matplotlib
|
numpy
|
pandas
|
pymatgen
|
rdkit
|
scikit-learn
|
scipy
|
torch
Optional dependencies:
ase
|
botorch
|
build
|
deepchem
|
dscribe
|
ipykernel
|
jarvis-tools
|
matminer
|
mendeleev
|
mkdocs
|
mkdocs-material
|
mkdocstrings
|
mordredcommunity
|
nbconvert
|
nbformat
|
pytest
|
pytest-cov
|
ruff
|
shap
|
twine
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