Data
Introduction
SciGraph is a multidisciplinary scientific knowledge graph led by the Zhejiang University team. It spans fields such as general science, mathematics, physics, chemistry, materials science, life sciences, and immunology, and supports scientific discovery research across diverse domains.
| Year | Title | KG Name | Field |
|---|---|---|---|
| / | / | OneGraph | / |
| / | / | TTKG-Math | / |
| 2024 | Large-Scale Knowledge Integration for Enhanced Molecular Property Prediction | ElementKG-CHEBI | Chemical |
| 2024 | Material Property Prediction with Element Attribute Knowledge Graphs and Multimodal Representation Learning | Materials | |
| 2023 | Marie and BERT¡ªA Knowledge Graph Embedding Based Question Answering System for Chemistry | TWA KG/Wikidata chemistry KG | Chemical |
| 2023 | Bridging the Semantic-Numerical Gap: A Numerical Reasoning Method of Cross-modal Knowledge Graph for Material Property Prediction | Cross-modal KG | Materials |
| Year | Title | KG Name | Field |
|---|---|---|---|
| / | / | ElementKG 2.0 | Chemical |
| / | / | OneGraph | / |
| 2025 | A comprehensive large-scale biomedical knowledge graph for AI-powered data-driven biomedical research | iKraph | Drug |
| 2025 | VITAGRAPH: Building a Knowledge Graph for Biologically Relevant Learning Tasks | VITAGRAPH | Drug |
| 2025 | Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations | MolKG | Chemical |
| 2025 | Construction of a knowledge graph for framework material enabled by large language models and its application | KG-FM | Materials |
| 2025 | High throughput screening of new piezoelectric materials using graph machine learning and knowledge graph approach | a simple KG encoding structural similarity between materials | Materials |
| 2024 | Knowledge-aware Reinforced Language Models for Protein Directed Evolution | Amino Acid Knowledge Graph (AAKG) | Omics |
| 2024 | Large-Scale Knowledge Integration for Enhanced Molecular Property Prediction | ElementKG-CHEBI | Chemical |
| 2024 | Self-Supervised Contrastive Molecular Representation Learning with a Chemical Synthesis Knowledge Graph | Chemical synthesis KG | Chemical |
| 2024 | MatKG: An autonomously generated knowledge graph in Material Science | MatKG | Materials |
| 2024 | A materials terminology knowledge graph automatically constructed from text corpus | MGED-KG | Materials |
| 2024 | Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model | MKG | Materials |
| 2024 | An ontology-based text mining dataset for extraction of process-structure-property entities | Materials mechanics ontology | Materials |
| 2024 | SciAgents: Automating Scientific Discovery Through Bioinspired Multi-Agent Intelligent Graph Reasoning | an ontological knowledge graph for biologically inspired materials | Materials |
| 2024 | Material Property Prediction with Element Attribute Knowledge Graphs and Multimodal Representation Learning | Materials | |
| 2024 | Knowledge graph-guided data-driven design of ultra-high-performance concrete (UHPC) with interpretability and physicochemical reaction discovery capability | UHPC KG | Materials |
| 2023 | Knowledge graph-enhanced molecular contrastive learning with functional prompt | ElementKG | Chemical |
| 2023 | Marie and BERT¡ªA Knowledge Graph Embedding Based Question Answering System for Chemistry | TWA KG/Wikidata chemistry KG | Chemical |
| 2023 | Revisiting Electrocatalyst Design by a Knowledge Graph of Cu-Based Catalysts for CO2 Reduction | Cu-Based Catalysts Knowledge Graph for CO2 Reduction | Materials |
| 2023 | Bridging the Semantic-Numerical Gap: A Numerical Reasoning Method of Cross-modal Knowledge Graph for Material Property Prediction | Cross-modal KG | Materials |
| 2023 | Reinforcement learning-based knowledge graph reasoning for aluminum alloy applications | Aluminum alloy domain KG | Materials |
| 2022 | Molecular Contrastive Learning with Chemical Element Knowledge Graph | Chemical | |
| 2022 | Creating and Exploiting the Intrinsically Disordered Protein Knowledge Graph (IDP-KG) | IDP-KG | Omics |
| 2022 | Identifying genes targeted by disease-associated non-coding SNPs with a protein knowledge graph | Protein KG | Omics |
| 2022 | Grain Knowledge Graph Representation Learning: A New Paradigm for Microstructure-Property Prediction | Grain KG | Materials |
| 2022 | Automating Materials Exploration with a Semantic Knowledge Graph for Li-Ion Battery Cathodes | a semantic knowledge graph dedicated to LIB cathodes | Materials |
| 2022 | High-Throughput Computing Assisted by Knowledge Graph to Study the Correlation between Microstructure and Mechanical Properties of 6XXX Aluminum Alloy | 6XXX Aluminum Alloy KG | Materials |
| 2022 | Compound Knowledge Graph-Enabled AI Assistant for Accelerated Materials Discovery | CKG (Compound KG) | Materials |
| 2021 | OntoProtein: Protein Pretraining With Gene Ontology Embedding | ProteinKG25 | Omics |
| 2021 | A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis | Chemical element KG | Chemical |
| 2021 | EBSD Grain Knowledge Graph Representation Learning for Material Structure-Property Prediction | EBSD Grain KG | Materials |
| 2020 | propnet: A Knowledge Graph for Materials Science | propnet KG | Materials |
| 2020 | NanoMine: A Knowledge Graph for Nanocomposite Materials Science | NanoMine KG | Materials |
| 2019 | GenomicsKG: A Knowledge Graph to Visualize Poly-Omics Data | GenomicsKG | Omics |
| 2018 | Relation extraction with weakly supervised learning based on process-structure-property-performance reciprocity | PSPP KG | Materials |
| Year | Title | KG Name | Field |
|---|---|---|---|
| / | / | ElementKG 2.0 | Chemical |
| / | / | PorousKG | Materials |
| / | / | MolSafeKG | / |
| 2024 | Knowledge Enhanced Representation Learning for Drug discovery | MKG | Drug |
| 2024 | An experimentally validated approach to automated biological evidence generation in drug discovery using knowledge graphs | Healx KG | Drug |
| 2024 | KGE-UNIT: toward the unification of molecular interactions prediction based on knowledge graph and multi-task learning on drug discovery | Drug | |
| 2024 | Knowledge-aware Reinforced Language Models for Protein Directed Evolution | Amino Acid Knowledge Graph (AAKG) | Omics |
| 2023 | Multi-Modal Protein Knowledge Graph Construction and Applications | ProteinKG65 | Omics |
| 2023 | Evolution-strengthened knowledge graph enables predicting the targetability and druggability of genes | ESKG | Drug |
| 2023 | Toxicology knowledge graph for structural birth defects | ReproTox-KG | Drug |
| 2022 | Automating Predictive Toxicology Using ComptoxAI | ComptoxAI KG | Drug |
| 2022 | KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction | DRKG | Drug |
| 2021 | KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction | DRKG | Drug |
| 2022 | Identifying compound-protein interactions with knowledge graph embedding of perturbation transcriptomics | Omics | |
| 2022 | Creating and Exploiting the Intrinsically Disordered Protein Knowledge Graph (IDP-KG) | IDP-KG | Omics |
| 2025 | Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations | MolKG | Chemical |
| 2024 | Self-Supervised Contrastive Molecular Representation Learning with a Chemical Synthesis Knowledge Graph | Chemical synthesis KG | Chemical |
| 2023 | Knowledge graph-enhanced molecular contrastive learning with functional prompt | ElementKG | Chemical |
| 2022 | Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge Graph | Reaction knowledge graph | Chemical |
| 2021 | A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis | Chemical element KG | Chemical |
| 2025 | Construction of a knowledge graph for framework material enabled by large language models and its application | KG-FM | Materials |
| 2024 | An ontology-based text mining dataset for extraction of process-structure-property entities | Materials mechanics ontology | Materials |
| 2023 | The materials experiment knowledge graph | MekG | Materials |
| 2023 | Revisiting Electrocatalyst Design by a Knowledge Graph of Cu-Based Catalysts for CO2 Reduction | Cu-Based Catalysts Knowledge Graph for CO2 Reduction | Materials |
| 2022 | Grain Knowledge Graph Representation Learning: A New Paradigm for Microstructure-Property Prediction | Grain KG | Materials |
| 2020 | propnet: A Knowledge Graph for Materials Science | propnet KG | Materials |
| 2018 | Relation extraction with weakly supervised learning based on process-structure-property-performance reciprocity | PSPP KG | Materials |
| 2024 | Knowledge graph-guided data-driven design of ultra-high-performance concrete (UHPC) with interpretability and physicochemical reaction discovery capability | UHPC KG | Materials |
| 2023 | Reinforcement learning-based knowledge graph reasoning for aluminum alloy applications | Aluminum alloy domain KG | Materials |
| 2022 | High-Throughput Computing Assisted by Knowledge Graph to Study the Correlation between Microstructure and Mechanical Properties of 6XXX Aluminum Alloy | 6XXX Aluminum Alloy KG | Materials |
| 2021 | EBSD Grain Knowledge Graph Representation Learning for Material Structure-Property Prediction | EBSD Grain KG | Materials |
| Year | Title | KG Name | Field |
|---|---|---|---|
| / | / | ElementKG 2.0 | Chemical |
| / | / | OneGraph | / |
| / | / | TTKG-Math | / |
| 2025 | TarIKGC: A Target Identification Tool Using Semantics-Enhanced Knowledge Graph Completion with Application to CDK2 Inhibitor Discovery | biological activity KG | Drug |
| 2025 | A comprehensive large-scale biomedical knowledge graph for AI-powered data-driven biomedical research | iKraph | Drug |
| 2025 | VITAGRAPH: Building a Knowledge Graph for Biologically Relevant Learning Tasks | VITAGRAPH | Drug |
| 2024 | Knowledge Enhanced Representation Learning for Drug discovery | MKG | Drug |
| 2024 | An experimentally validated approach to automated biological evidence generation in drug discovery using knowledge graphs | Healx KG | Drug |
| 2024 | DDI-GPT: Explainable Prediction of Drug-Drug Interactions using Large Language Models enhanced with Knowledge Graphs | iBKH | Drug |
| 2024 | MKG-FENN: A Multimodal Knowledge Graph Fused End-to-End Neural Network for Accurate Drug-Drug Interaction Prediction | MKG | Drug |
| 2024 | KGRLFF: Detecting Drug-Drug Interactions Based on Knowledge Graph Representation Learning and Feature Fusion | Drug | |
| 2024 | KGE-UNIT: toward the unification of molecular interactions prediction based on knowledge graph and multi-task learning on drug discovery | Drug | |
| 2023 | Evolution-strengthened knowledge graph enables predicting the targetability and druggability of genes | ESKG | Drug |
| 2023 | Toxicology knowledge graph for structural birth defects | ReproTox-KG | Drug |
| 2023 | NAFLDkb: A Knowledge Base and Platform for Drug Development against Nonalcoholic Fatty Liver Disease | NAFLDkb | Drug |
| 2022 | KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction | DRKG | Drug |
| 2022 | Automating Predictive Toxicology Using ComptoxAI | ComptoxAI KG | Drug |
| 2021 | KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction | DRKG | Drug |
| 2020 | KGNN: Knowledge Graph Neural Network for Drug-Drug Interaction Prediction | Drug | |
| 2019 | GAMENet: Graph Augmented MEMory Networks for Recommending Medication Combination | EHR & DDI Graph | Drug |
| 2017 | A Network Integration Approach for Drug-Target Interaction Prediction and Computational Drug Repositioning from Heterogeneous Information | Drug | |
| 2017 | Knowledge graph prediction of unknown adverse drug reactions and validation in electronic health records | Drug | |
| 2017 | Deep mining heterogeneous networks of biomedical linked data to predict novel drug - target associations | LTN | Drug |
| 2022 | Knowledge-graph-based cell-cell communication inference for spatially resolved transcriptomic data with SpaTalk | LRT-KG | Omics |
| 2022 | A knowledge graph to interpret clinical proteomics data | CKG | Omics |
| 2022 | Knowledge integration and decision support for accelerated discovery of antibiotic resistance genes | E. coli knowledge graph | Omics |
| 2022 | Biomedical knowledge graph embeddings for personalized medicine: Predicting disease-gene associations | a biomedical KG for predicting disease-gene association | Omics |
| 2022 | Identifying genes targeted by disease-associated non-coding SNPs with a protein knowledge graph | Protein KG | Omics |
| 2021 | OntoProtein: Protein Pretraining With Gene Ontology Embedding | ProteinKG25 | Omics |
| 2020 | Accurate prediction of kinase-substrate networks using knowledge graphs | a phosphorylation knowledge graph | Omics |
| 2019 | GenomicsKG: A Knowledge Graph to Visualize Poly-Omics Data | GenomicsKG | Omics |
| 2016 | A knowledge-based approach for predicting gene-disease associations | Omics | |
| 2025 | Construction of a knowledge graph for framework material enabled by large language models and its application | KG-FM | Materials |
| 2025 | High throughput screening of new piezoelectric materials using graph machine learning and knowledge graph approach | a simple KG encoding structural similarity between materials | Materials |
| 2024 | MatKG: An autonomously generated knowledge graph in Material Science | MatKG | Materials |
| 2024 | A materials terminology knowledge graph automatically constructed from text corpus | MGED-KG | Materials |
| 2024 | Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model | MKG | Materials |
| 2020 | propnet: A Knowledge Graph for Materials Science | propnet KG | Materials |
| 2018 | Relation extraction with weakly supervised learning based on process-structure-property-performance reciprocity | PSPP KG | Materials |
| 2024 | SciAgents: Automating Scientific Discovery Through Bioinspired Multi-Agent Intelligent Graph Reasoning | an ontological knowledge graph for biologically inspired materials | Materials |
| 2024 | Knowledge graph-guided data-driven design of ultra-high-performance concrete (UHPC) with interpretability and physicochemical reaction discovery capability | UHPC KG | Materials |
| 2023 | Reinforcement learning-based knowledge graph reasoning for aluminum alloy applications | Aluminum alloy domain KG | Materials |
| 2022 | Automating Materials Exploration with a Semantic Knowledge Graph for Li-Ion Battery Cathodes | a semantic knowledge graph dedicated to LIB cathodes | Materials |
| 2022 | Compound Knowledge Graph-Enabled AI Assistant for Accelerated Materials Discovery | CKG (Compound KG) | Materials |
| 2020 | NanoMine: A Knowledge Graph for Nanocomposite Materials Science | NanoMine KG | Materials |
| Year | Title | KG Name | Field |
|---|---|---|---|
| / | / | ElementKG 2.0 | Chemical |
| / | / | MolSafeKG | Drug |
| 2025 | A comprehensive large-scale biomedical knowledge graph for AI-powered data-driven biomedical research | iKraph | Drug |
| 2024 | An experimentally validated approach to automated biological evidence generation in drug discovery using knowledge graphs | Healx KG | Drug |
| 2019 | GAMENet: Graph Augmented MEMory Networks for Recommending Medication Combination | EHR & DDI Graph | Drug |
| 2017 | Knowledge graph prediction of unknown adverse drug reactions and validation in electronic health records | Drug | |
| 2022 | A knowledge graph to interpret clinical proteomics data | CKG | Omics |
| 2023 | The materials experiment knowledge graph | MekG | Materials |
| 2024 | SciAgents: Automating Scientific Discovery Through Bioinspired Multi-Agent Intelligent Graph Reasoning | an ontological knowledge graph for biologically inspired materials | Materials |