Fangyinfff / KCL
Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]
☆89Updated last year
Alternatives and similar repositories for KCL:
Users that are interested in KCL are comparing it to the libraries listed below
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆117Updated last year
- Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".☆120Updated last year
- Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction☆43Updated 3 years ago
- ☆27Updated 3 years ago
- Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"☆27Updated 2 years ago
- ☆28Updated last year
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆19Updated last year
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆105Updated 6 months ago
- Source code for "A Deep-learning System Bridging Molecule Structure and Biomedical Text with Comprehension Comparable to Human Profession…☆85Updated last year
- ☆19Updated last year
- [Bioinformatics 2021] This is the repo for the paper `SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summa…☆85Updated 8 months ago
- Associated Repository for "Translation between Molecules and Natural Language"☆172Updated last year
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Updated last year
- Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".☆10Updated last year
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆186Updated 2 years ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆38Updated 9 months ago
- Source Code for IJCAI'20 "KGNN: Knowledge Graph Neural Network for Drug-Drug Interaction Prediction"☆87Updated 4 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 2 years ago
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆39Updated 3 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆114Updated last year
- related to graph and deep Learning for drug-drug interactions prediction.☆25Updated 2 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆76Updated 2 years ago
- Codes, datasets and appendix for AAAI-2023 paper "Multi-relational Contrastive Learning Graph Neural Network for Drug-drug Interaction Ev…☆15Updated last month
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆128Updated 6 months ago
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Updated 2 years ago
- The official source code for "Conditional Graph Information Bottleneck for Molecular Relational Learning".☆40Updated last year
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆47Updated 3 years ago
- ☆9Updated 3 years ago
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆61Updated last year