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from rrog.registry import BenchmarkSpec, by_name
BENCHMARKS = [
BenchmarkSpec("zinc-cycle56", "A", "molecule-2d", "graph-regression", "raw-mae", 1,
"implemented", "ZINC subset with #5/#6 cycle-count targets."),
BenchmarkSpec("zinc", "A", "molecule-2d", "graph-regression", "mae", 2),
BenchmarkSpec("ogbg-molhiv", "A", "molecule-2d", "graph-classification", "rocauc", 3,
"implemented", "OGB graph property prediction."),
BenchmarkSpec("ogbg-molpcba", "A", "molecule-2d", "graph-multilabel", "ap", 4,
"implemented", "OGB graph property prediction."),
BenchmarkSpec("ogbg-molbbbp", "A", "molecule-2d", "graph-classification", "rocauc", 5,
"implemented", "OGB graph property prediction."),
BenchmarkSpec("ogbg-molbace", "A", "molecule-2d", "graph-classification", "rocauc", 6,
"implemented", "OGB graph property prediction."),
BenchmarkSpec("ogbg-moltox21", "A", "molecule-2d", "graph-multilabel", "rocauc", 7,
"implemented", "OGB graph property prediction."),
BenchmarkSpec("ogbg-molclintox", "A", "molecule-2d", "graph-multilabel", "rocauc", 8,
"implemented", "OGB graph property prediction."),
BenchmarkSpec("ogbg-molsider", "A", "molecule-2d", "graph-multilabel", "rocauc", 9,
"implemented", "OGB graph property prediction."),
BenchmarkSpec("ogbg-molesol", "A", "molecule-2d", "graph-regression", "rmse", 10,
"implemented", "OGB ESOL graph property prediction."),
BenchmarkSpec("ogbg-molfreesolv", "A", "molecule-2d", "graph-regression", "rmse", 11,
"implemented", "OGB FreeSolv graph property prediction."),
BenchmarkSpec("ogbg-mollipo", "A", "molecule-2d", "graph-regression", "rmse", 12,
"implemented", "OGB Lipophilicity graph property prediction."),
BenchmarkSpec("pcqm4mv2", "A", "molecule-2d", "graph-regression", "mae", 13),
BenchmarkSpec("qm9", "A", "molecule-3d", "graph-regression", "mae", 14),
BenchmarkSpec("peptides-func", "B", "long-range", "graph-multilabel", "ap", 15),
BenchmarkSpec("peptides-struct", "B", "long-range", "graph-regression", "mae", 16),
BenchmarkSpec("pcqm-contact", "B", "long-range", "link-prediction", "mrr", 17),
BenchmarkSpec("pascalvoc-sp", "B", "superpixel", "node-classification", "f1", 18),
BenchmarkSpec("coco-sp", "B", "superpixel", "node-classification", "f1", 19),
BenchmarkSpec("ogbn-arxiv", "B", "citation", "node-classification", "accuracy", 20),
BenchmarkSpec("ogbn-products", "B", "commerce", "node-classification", "accuracy", 21),
BenchmarkSpec("rmd17", "C", "molecule-3d", "energy-force", "mae", 22),
BenchmarkSpec("oc20-s2ef", "C", "catalyst-3d", "energy-force", "mae", 23),
BenchmarkSpec("oc22", "C", "catalyst-3d", "energy-force", "mae", 24),
BenchmarkSpec("matbench-discovery", "C", "materials", "stability", "discovery-metrics", 25),
BenchmarkSpec("tgb-subset", "C", "temporal", "temporal-link-node", "dataset-specific", 26),
]
BENCHMARK_BY_NAME = by_name(BENCHMARKS)
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