richlewis42 /
scikit-chem
| 38 added classes/operations | |||
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F | ChemAxonNMRPredictor.parse_output() added | |
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C | NMRShiftDB2Converter.get_spectra() added | |
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B | NMRShiftDB2Converter added | |
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B | NMRShiftDB2Converter.log_dists() added | |
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B | NMRShiftDB2Converter.combine_duplicates() added | |
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B | NMRShiftDB2Converter.process_spectra() added | |
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A | NMRShiftDB2Converter.__init__() added | |
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A | NMRShiftDB2Converter.is_duplicate() added | |
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A | NMRShiftDB2Converter.squash_duplicates() added | |
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A | NMRShiftDB2Converter.log_duplicates() added | |
| B | ↘ | C | ChemAxonStandardizer._transform_file() got worse |
| B | ↘ | C | ForceField.optimize() got worse |
| A | ↘ | B | ChemAxonFeatureCalculator._transform_series() got worse |
| view all | |||
| Head |  Rich Lewis
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| ⋮ | 9 more commits |
| Base | Rich Lewis
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