PCQM4Mv2_subs

This repo contains our submission to the NeurIPS 2022 OGB LSC PCQM4Mv2 challenge.

Install

• pip install -U torch ogb rdkit
• pip install torch-scatter -f https://data.pyg.org/whl/torch-1.12.1+cu102.html
• pip install torch-sparse -f https://data.pyg.org/whl/torch-1.12.1+cu102.html
• pip install torch-geometric

Train

• cd scripts
• sh train.sh

Predict

• cd scripts
• python predict.py 0