The best way to start exploring DRFP is on binder. A notebook that gets you started on creating and using DRFP: A notbook that explains how you can use SHAP to analyse and interpret your machine ...

If you're not using rdkit, you don't have to do feature selection because the feature set is not too large. -p: Dataset path -dn: Dataset name (su,dy,az) -op: Output path -mv: Model version ...