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matchms
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ms2deepscore
Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
Apache License 2.0
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Fix visualizations
#152
Closed
niekdejonge
closed
10 months ago
niekdejonge
commented
11 months ago
[x] Refactoring of the automatic benchmarking pipeline.
[x] Create tanimoto scores on the spot (since they are not created during training anymore)
[ ] Add tests for tanimoto score calculations?