Steps of reproduction:
- Download the datasets from the link given in MoleculeNet (QM9) and ConfVAE(GEOM-QM9 & GEOM-Drugs)
- Run
script_conf_feature.pyto get the hyper-parameters$\lambda$ - Copy the
xxx.slurmfromslurms/and run it
Steps of reproduction:
script_conf_feature.py to get the hyper-parameters xxx.slurm from slurms/ and run it