TDC is a is an open-source and comprehensive data hub of machine learning datasets for therapeutics. TDC covers a wide range of tasks, including target discovery, activity screening, efficacy, saffety, and manufacturing. TDC contains datasets describing diverse types of products, including small molecules, antibodies, vaccines, and miRNA.

The TDC platform implements numerous data functions for dataset processing, model evaluation, molecule generation oracles, and more.

BioSNAP is a collection diverse biomedical networks, inclusing protein-protein interaction networks, single-cell similarity networks, drug-drug interaction networks.

BioSNAP datasets contain metadata on graphs and node features, and can be easily linked to external repositories of biological knowledge.

OGB is a collection of benchmark datasets, data loaders, and evaluators for graph machine learning. Datasets cover a variety of graph machine learning tasks and real-world applications.

The OGB data loaders are fully compatible with popular graph deep learning frameworks, including Pytorch Geometric and DGL. They provide automatic dataset downloading, standardized dataset splits, and unified performance evaluation.

The multimodal cancer network integrates information on chemicals, diseases, molecular functions, genes, and protein.

The dataset has 21 types of biologically meaningful associations (edge types): chemical-chemical, chemical-protein, disease-chemical, disease-disease, disease-function, disease-gene, function-function, gene-gene (split into 6 edge types by interaction type), gene-protein, protein-function, and protein-protein interactions.

The network has 20 K nodes and 3.4 M edges.

The giga-scale biological network is one of the largest networks ever constructed in biology. The network integrates protein and genetic interaction data from more than two thousand species.

The network has 10 M nodes and 2.3 B edges.

The dataset contains protein interactomes from 1,840 species across the tree of life. The dataset contains rich metadata about prrteins, including their homology relationships

The dataset also contains metadata about species, including taxonomy of species, phylogenetic reltionships, and ecological information on environments and habitats in which species live.

The polypharmacy network is a highly multi-relational network, consisting of protein-protein interactions, drug-protein targets, and drug-drug interactions encoded by polypharmacy side effects.

The network has 20 K nodes and 5 M edges, which are split into 1 K distinct edge types.

The dataset contains protein-protein interaction networks specific to 107 human tissues, a tissue hierarchy of anatomical relationships between tissues, and tissue-specific gene-function annotations.

The human knowledge network contains interactions between proteins, diseases, biological processes, side effects, and drugs.

The network has 98 K nodes and 8 M edges, which are split into 42 distinct types of biologically relevant molecular interactions.