Repository navigation
Multiple Conformers #8
Description
Hi, after running the following two commands:
python -u script/gen.py --config_path ./config/drugs_default.yml --generator ConfGF --smiles c1ccccc1
python -u script/gen.py --config_path ./config/drugs_default.yml --generator ConfGFDist --smiles c1ccccc1
I noticed only one .pkl file is generated by each command - is it possible to generate more conformers for one given smiles?
Activity