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)