kimsu55 / ToxExpert
☆13Updated last year
Alternatives and similar repositories for ToxExpert:
Users that are interested in ToxExpert are comparing it to the libraries listed below
- The official source code for "Conditional Graph Information Bottleneck for Molecular Relational Learning".☆39Updated last year
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆33Updated 11 months ago
- Ratioanle-aware Graph Contrastive Learning codebase☆40Updated last year
- GraphACL: Simple and Asymmetric Graph Contrastive Learning (NeurIPS 2023)☆29Updated 8 months ago
- Codes, datasets and appendix for AAAI-2023 paper "Multi-relational Contrastive Learning Graph Neural Network for Drug-drug Interaction Ev…☆15Updated 2 years ago
- Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023☆18Updated last year
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆37Updated 8 months ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction☆42Updated 3 years ago
- [NeurIPS'23] Source code of "Data-Centric Learning from Unlabeled Graphs with Diffusion Model": A data-centric transfer learning framewor…☆18Updated 11 months ago
- Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"☆38Updated last year
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆22Updated last year
- ☆29Updated 11 months ago
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆116Updated last year
- Official Implementation of "D4Explainer: In-Distribution GNN Explanations via Discrete Denoising Diffusion"☆20Updated last year
- [NeurIPS 2023] Does Invariant Graph Learning via Environment Augmentation Learn Invariance?☆21Updated 5 months ago
- The code Implementation of the paper “Universal Prompt Tuning for Graph Neural Networks”.☆26Updated last year
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Updated 2 years ago
- [ACL 2023 Oral] Clinical Note Owns its Hierarchy: Multi-Level Hypergraph Neural Networks for Patient-Level Representation Learning☆8Updated last year
- Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)☆17Updated 8 months ago
- [ACL 2024] ReactXT: Understanding Molecular “Reaction-ship” via Reaction-Contextualized Molecule-Text Pretraining. by Zhiyuan Liu*, Yaoru…☆15Updated 5 months ago
- [WWW 2022] "SimGRACE: A Simple Framework for Graph Contrastive Learning without Data Augmentation"☆79Updated 2 years ago
- Official implementation of SAGNN☆18Updated last year
- Code & data for ICLR'23 Spotlight paper "Learning MLPs on Graphs: A Unified View of Effectiveness, Robustness, and Efficiency".☆31Updated last year
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆57Updated 11 months ago
- [ICLR 2023] Learnable Randomness Injection (LRI) for interpretable Geometric Deep Learning.☆23Updated last year
- The Open Source Code For ICML 2023 Paper "Finding the Missing-half: Graph Complementary Learning for Homophily-prone and Heterophily-pron…☆15Updated last year
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆31Updated last year
- The pytorch implementation of ClusterSCL (WWW2022).☆15Updated last year