richlewis42 /
scikit-chem
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| 1 |
skchem/base.py
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| 5 |
skchem/core/atom.py
Configuration
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| 2 |
skchem/core/base.py
Configuration
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| 3 |
skchem/core/bond.py
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| 4 |
skchem/core/conformer.py
Configuration
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| 4 |
skchem/core/mol.py
Configuration
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| 7 |
skchem/cross_validation/similarity_threshold.py
Configuration
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| 4 |
skchem/data/converters/base.py
Configuration
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| 1 |
skchem/data/converters/bradley_open_mp.py
Configuration
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| 1 |
skchem/data/converters/bursi_ames.py
Configuration
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Richard Lewis