kimsu55 / ToxExpertLinks
☆14Updated 2 years ago
Alternatives and similar repositories for ToxExpert
Users that are interested in ToxExpert are comparing it to the libraries listed below
Sorting:
- The official source code for "Conditional Graph Information Bottleneck for Molecular Relational Learning".☆40Updated 2 years ago
- [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"☆15Updated 2 weeks ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆36Updated last year
- Ratioanle-aware Graph Contrastive Learning codebase☆43Updated last year
- Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023☆19Updated last year
- Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction☆44Updated 3 years ago
- Codes, datasets and appendix for AAAI-2023 paper "Multi-relational Contrastive Learning Graph Neural Network for Drug-drug Interaction Ev…☆17Updated 3 months ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆42Updated 2 months ago
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆122Updated last year
- Subgraph-conditioned Graph Information Bottleneck (S-CGIB) is a novel architecture for pre-training Graph Neural Networks in molecular pr…☆11Updated last month
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Updated 2 years ago
- Code for ICLR'24 Paper "Decoupling Weighing and Selecting for Integrating Multiple Graph Pre-training Tasks"☆10Updated last year
- Official Implementation of "D4Explainer: In-Distribution GNN Explanations via Discrete Denoising Diffusion"☆21Updated last year
- A Network Integration Approach for Drug-Target Interaction Prediction☆13Updated 2 months ago
- [ACL 2023 Oral] Clinical Note Owns its Hierarchy: Multi-Level Hypergraph Neural Networks for Patient-Level Representation Learning☆9Updated last year
- Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]☆89Updated last year
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆21Updated last year
- Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"☆38Updated last year
- GraphACL: Simple and Asymmetric Graph Contrastive Learning (NeurIPS 2023)☆31Updated 11 months ago
- A curated list of papers on graph transfer learning (GTL).☆17Updated last year
- Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)☆20Updated 11 months ago
- ☆29Updated last year
- [NeurIPS'23] Source code of "Data-Centric Learning from Unlabeled Graphs with Diffusion Model": A data-centric transfer learning framewor…☆20Updated last year
- ☆28Updated 3 years ago
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆20Updated last year
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆61Updated last year
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Updated last year
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆32Updated last year
- related to graph and deep Learning for drug-drug interactions prediction.☆26Updated 2 years ago