extensions.txt

BASIC
- python command arguments need some documentation ('help', 'required')
- tests for metrics
- several python command arguments are comma-separated enumerations, may use "Better Version" from here https://stackoverflow.com/a/60205263
- throw meaningful errors (e.g., argument validity checks)
- further documentation needed? (e.g., our dataset extraction)

FEATURES
- different splits in single step runs/evaluation (e.g., as in https://github.com/ml-jku/mhn-react/blob/de0fda32f76f866835aa65a6ff857964302b2178/mhnreact/train.py#L398)
- cross validation in single step
- other metrics
- mss is currently evaluated at one topk, instead of at ks=[1, ...]
- single-step evaluation: consider potential reaction duplicates only once

LIMITATIONS
- evaluation based on PARoutes, so routes must be in that format