0.5.0

ms2deepscore 0.5.0

Added

• New DataGeneratorCherrypicked as an alternative to former data generators #145. This will work better for large datasets and also tried to counteract biases in the chemical similarity scores.
• Models can now be trained on selected metadata entries in addition to the spectrum peaks #128.
• New MetadataFeatureGenerator class to handle additional metadata more robustly #128
• Workflow scripts for training a new MS2DeepScore model #124. The ease of training MS2Deepscore models is improved, including standard settings and splitting validation and training data.

Changed

• In SiameseModel, the attributes are not passed as an argument but instead used by the class.
• Improved plotting functionality. Some additional plotting options were added and plots previously created in notebooks are now functions.
• Linting (code and imports) #145.