ms2deepscore 2.3.0
Added
- New plotting functions for benchmarking #244
Changed
- Integrated new plotting functions in automated training pipeline #244
- Removed automatic storing of benchmarking scores #244
- Integrated loss calculation for validation loss and plots #244
- Validation loss uses all spectrum pairs instead of only 1 spectrum per inchikey #244
- Code refactoring and code linting.
Fixed
- Fingerprint type and number of bits specified in the settings is now correctly used in training and validation (before was set to default values in some instances) #244 and #251
Removed
- Removed version warning #249
Full Changelog: 2.2.0...2.3.0