Here is the repo for Tencent Alchemy Tools. We currently provide a PyG dataloader for Alchemy contest, as well as a PyG mpnn model.
You may want to use the script at pyg/data-bin/download.sh. This script downloads dev.zip and valid.zip and extracts them at pyg/data-bin/raw.
You can also download manually from the homepage of Alchemy contest.
If you download Alchemy dataset and extract at pyg/data-bin/raw, you can simply run pyg/mpnn.py for training. After training, the example mpnn model will dump a target.csv file which is ready to submit to CodaLab for evaluation.