Moldb needs fixing

[tdudgeon]

The moldb-enumerate-mols step in data-manager/moldb.yaml is broken.
The logic is in moldb/enumerate_mols.nf and it seems that the enumerate step generates a .sdf file, whereas the load_enum stop is expecting a .cxsmi file.
Not clear what has broken here.

[tdudgeon]

Seems that the wrong enumerate.py is being used. It should be the one from moldb/enumerate.py, but there is no Nextlow module for that, only that standard RDKit one at the root level.