--- license: apache-2.0 tags: - biology - chemistry configs: - config_name: bace data_files: - split: train path: bace/train.csv - split: test path: bace/test.csv - split: val path: bace/valid.csv - config_name: bbbp data_files: - split: train path: bbbp/train.csv - split: test path: bbbp/test.csv - split: val path: bbbp/valid.csv - config_name: clintox data_files: - split: train path: clintox/train.csv - split: test path: clintox/test.csv - split: val path: clintox/valid.csv - config_name: esol data_files: - split: train path: esol/train.csv - split: test path: esol/test.csv - split: val path: esol/valid.csv - config_name: freesolv data_files: - split: train path: freesolv/train.csv - split: test path: freesolv/test.csv - split: val path: freesolv/valid.csv - config_name: hiv data_files: - split: train path: hiv/train.csv - split: test path: hiv/test.csv - split: val path: hiv/valid.csv - config_name: lipo data_files: - split: train path: lipo/train.csv - split: test path: lipo/test.csv - split: val path: lipo/valid.csv - config_name: qm9 data_files: - split: train path: qm9/train.csv - split: test path: qm9/test.csv - split: val path: qm9/valid.csv - config_name: sider data_files: - split: train path: sider/train.csv - split: test path: sider/test.csv - split: val path: sider/valid.csv - config_name: tox21 data_files: - split: train path: tox21/train.csv - split: test path: tox21/test.csv - split: val path: tox21/valid.csv --- # MoleculeNet Benchmark