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CSIML

CSIML is a "cost-sensitive and iterative machine-learning" method for small and imbalanced materials data sets.

Cite it

S Li, A Nakata*. CSIML: a cost-sensitive and iterative machine-learning method for small and imbalanced materials data sets[J]. Chemistry Letters, 2024, 53(5). [DOI]

Usage

Requirements

Here are some necessary environments for minimal main features:

Enviroment Name Version
Python >=3.10
zhonger/matminer >=0.7.8
scikit-learn >=1.1.1
mendeleev >=0.10.0
pandas >=1.4.3
numpy >=1.23.1
tqdm >=4.64.0

Besieds these, you can install others in requirements.txt for more features.

Build

pip3 install poetry
poetry build
pip3 install dist/*.whl

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