SGGRL: Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry
- Process Data
python build_corpus.py --in_path {data_path} --out_path {save_path}
python build_vocab.py --corpus_path {corpus_path} --out_path {save_path}
python data_3d.py --dataset {dataset name}
- Molecular Property Prediction
python main.py --dataset {dataset name} --task_type {reg/class}