v1.0.0
Initial release. This contains a basic ensemble implementation for three model types:
- Electra (from chebai)
- ResGated GCNs (from chebai-graph)
- ChemLog Peptides (from chemlog-peptides)
Aggregation is Weighted Majority Voting (WMV) based on
- binary classification (either positive or negative, according to 0.5 threshold)) -> only using this would constitute majority voting
- confidence (distance of prediction from threshold)
- model weight (use case: set a higher weight for ChemLog since a rule-based classification is more trustworthy than an ML model)
- trust (based on f1-score on validation set)