--- language: [] pretty_name: alagesse/gnn-datasets configs: - config_name: zinc-12k data_files: - split: train path: zinc-12k/train*.parquet - split: validation path: zinc-12k/validation*.parquet - split: test path: zinc-12k/test*.parquet - config_name: zinc-250k data_files: - split: train path: zinc-250k/train*.parquet - split: validation path: zinc-250k/validation*.parquet - split: test path: zinc-250k/test*.parquet - config_name: aqsol data_files: - split: train path: aqsol/train*.parquet - split: validation path: aqsol/validation*.parquet - split: test path: aqsol/test*.parquet - config_name: pcqm4mv2-2d data_files: - split: train path: pcqm4mv2-2d/train*.parquet - split: validation path: pcqm4mv2-2d/validation*.parquet - split: test_dev path: pcqm4mv2-2d/test_dev*.parquet - split: test_challenge path: pcqm4mv2-2d/test_challenge*.parquet - config_name: pcqm4mv2-3d data_files: - split: train path: pcqm4mv2-3d/train*.parquet - config_name: pcqm4mv2-smiles data_files: - split: train path: pcqm4mv2-smiles/train*.parquet - split: validation path: pcqm4mv2-smiles/validation*.parquet - split: test_dev path: pcqm4mv2-smiles/test_dev*.parquet - split: test_challenge path: pcqm4mv2-smiles/test_challenge*.parquet - config_name: qm9 data_files: - split: train path: qm9/train*.parquet - split: validation path: qm9/validation*.parquet - split: test path: qm9/test*.parquet - config_name: qm9-smiles data_files: - split: train path: qm9-smiles/train*.parquet - split: validation path: qm9-smiles/validation*.parquet - split: test path: qm9-smiles/test*.parquet --- # alagesse/gnn-datasets This repository hosts multiple standardized graph datasets. Load any configuration via: ```python from datasets import load_dataset ds = load_dataset("alagesse/gnn-datasets", "", split="") ``` ## Available configurations: | Configuration | | --- | | [`zinc-12k`](./README.zinc-12k.md) | | [`zinc-250k`](./README.zinc-250k.md) | | [`aqsol`](./README.aqsol.md) | | [`pcqm4mv2-2d`](./README.pcqm4mv2-2d.md) | | [`pcqm4mv2-3d`](./README.pcqm4mv2-3d.md) | | [`pcqm4mv2-smiles`](./README.pcqm4mv2-smiles.md) | | [`qm9`](./README.qm9.md) | | [`qm9-smiles`](./README.qm9-smiles.md) |