# Code for downstream 1: GNN pretraining

TO SET UP ENVIRONMENT:
conda env create -f environment.yml

TO RUN ZINC SUBSET PRETRAINING + FINETUNING:
python train_zinc.py --config_file=GIN_configs/zinc_subset_features.yaml

TO RUN ZINC FULL PRETRAINING + FINETUNING:
python train_zinc.py --config_file=GIN_configs/zinc_full_features.yaml

TO RUN QM9 FULL PRETRAINING + FINETUNING:
python train_zinc.py --config_file=GIN_configs/qm9_full_features.yaml --search

