To reproduce error try: from LambdaZero.utils import get_external_dirs
After my prev commit circular dependency has been created:
LambdaZero.utils <---> LambdaZero.chem
The reason is introduction of usage of LambdaZero.utils.get_external_dirs in chem module.
In this commit, I acted upon the presumption that there is no point to keep MakeFP function in utils module, and moved it to chem. This way chem is no longer imported in utils - no more circular dependency.
ZINC20 dataset class - built-in collate function can't handle docked positions from multiple models, thus custom collate and get functions.
To reproduce error try:
from LambdaZero.utils import get_external_dirsAfter my prev commit circular dependency has been created:
LambdaZero.utils<--->LambdaZero.chemThe reason is introduction of usage ofLambdaZero.utils.get_external_dirsinchemmodule.In this commit, I acted upon the presumption that there is no point to keep
MakeFPfunction inutilsmodule, and moved it tochem. This waychemis no longer imported inutils- no more circular dependency.ZINC20 dataset class - built-in collate function can't handle docked positions from multiple models, thus custom collate and get functions.