PlantMetWiki Full Dataset: 421-species enzyme-reaction graph with node embeddings and link-prediction splits
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The complete PlantMetWiki plant-metabolism knowledge graph (421 plant species), prepared for heterogeneous-graph link prediction. Task: predict (Protein, catalyzes, Interaction) edges ("this enzyme catalyses this reaction"). Three complementary train/val/test split strategies are included: a random 80/10/10 split, an organism-held-out split (tests cross-species generalisation), and a pathway-held-out split (tests generalisation to unseen biological contexts). Includes pre-computed node embeddings, already attached to the PyTorch Geometric HeteroData object as node features: MAP4 binary fingerprints for metabolites, ESM-C (esmc_300m) embeddings for proteins, and PlantCaduceus (l32) DNA embeddings for gene products. See README.md inside the archive for the full file list, coverage numbers, and loading code, and LICENSE.md for provenance of each embedding's source sequences. This is the full-graph counterpart of the 2-species Learnathon subset (10.5281/zenodo.20736061) — same task and file format, complete species coverage instead of an A. thaliana / G. max slice.



