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".☆43Updated 2 years ago
- ☆29Updated last year
- Multi-view Graph Contrastive Representation Learning for Drug-drug Interaction Prediction☆44Updated 3 years ago
- Implementation of Fragment-based Pretraining and Finetuning on Molecular Graphs (NeurIPS 2023)☆20Updated last year
- Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"☆124Updated 2 years ago
- Code and Data for the paper: Molecular Contrastive Learning with Chemical Element Knowledge Graph [AAAI 2022]☆91Updated last year
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023☆19Updated last year
- Subgraph-conditioned Graph Information Bottleneck (S-CGIB) is a novel architecture for pre-training Graph Neural Networks in molecular pr…☆13Updated last month
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆18Updated 2 years ago
- ☆27Updated last year
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆38Updated last year
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆61Updated 2 years ago
- [NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"☆15Updated 3 months ago
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆34Updated 2 years ago
- [NeurIPS'23] Source code of "Data-Centric Learning from Unlabeled Graphs with Diffusion Model": A data-centric transfer learning framewor…☆21Updated 2 months ago
- ☆28Updated 4 years ago
- Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"☆39Updated 2 years ago
- related to graph and deep Learning for drug-drug interactions prediction.☆28Updated 2 years ago
- Official Implementation of "D4Explainer: In-Distribution GNN Explanations via Discrete Denoising Diffusion"☆23Updated last year
- Codes, datasets and appendix for AAAI-2023 paper "Multi-relational Contrastive Learning Graph Neural Network for Drug-drug Interaction Ev…☆17Updated 6 months ago
- Ratioanle-aware Graph Contrastive Learning codebase☆44Updated 2 years ago
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆62Updated last year
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆115Updated 11 months ago
- Implementation of Self-supervised Graph-level Representation Learning with Local and Global Structure (ICML 2021).☆80Updated 4 years ago
- Source code for From Stars to Subgraphs (ICLR 2022)☆69Updated last year
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆45Updated 5 months ago
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆21Updated last year
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆124Updated 2 years ago
- Official implementation for "Cluster-wise Graph Transformer with Dual-granularity Kernelized Attention" (NeurIPS2024 Spotlight)☆13Updated 10 months ago