Graph-COM / GESS
Code for GeSS: Benchmarking Geometric Deep Learning under Scientific Applications with Distribution Shifts
☆13Updated 5 months ago
Related projects ⓘ
Alternatives and complementary repositories for GESS
- [ICLR 2023] Learnable Randomness Injection (LRI) for interpretable Geometric Deep Learning.☆23Updated last year
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆30Updated 8 months ago
- [ICML 2024] Code for Pairwise Alignment Improves Graph Domain Adaptation (Pair-Align)☆11Updated 5 months ago
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆52Updated 9 months ago
- Papers about Molecular Machine Learning (MoML) given its human language textual description☆69Updated 3 months ago
- GraphACL: Simple and Asymmetric Graph Contrastive Learning (NeurIPS 2023)☆24Updated 5 months ago
- Official Implementation of "D4Explainer: In-Distribution GNN Explanations via Discrete Denoising Diffusion"☆19Updated last year
- Rex Ying's Ph.D. Thesis, Stanford University☆40Updated 2 years ago
- Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)☆20Updated last year
- The official source code for "Conditional Graph Information Bottleneck for Molecular Relational Learning".☆39Updated last year
- Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023☆18Updated 11 months ago
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆35Updated 5 months ago
- Official implementation for the paper "Learning Substructure Invariance for Out-of-Distribution Molecular Representations" (NeurIPS 2022)…☆60Updated last year
- [NeurIPS'23] Source code of "Data-Centric Learning from Unlabeled Graphs with Diffusion Model": A data-centric transfer learning framewor…☆17Updated 8 months ago
- Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"☆38Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆11Updated this week
- Reference implementation for SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators (ICML …☆23Updated 2 years ago
- Source code for From Stars to Subgraphs (ICLR 2022)☆64Updated 7 months ago
- ACMP: Allen-Cahn Message Passing with Attractive and Repulsive Forces for Graph Neural Networks(ICLR 2023)☆16Updated last year
- ☆28Updated last week
- EDGE: Efficient and Degree-Guided Graph Generation via Discrete Diffusion Modeling☆48Updated 8 months ago
- Official code for SPE☆11Updated 2 months ago
- Papers about developing DL methods on disassortative graphs☆48Updated 2 years ago
- ☆18Updated last year
- [ICLR 2023] "Graph Domain Adaptation via Theory-Grounded Spectral Regularization" by Yuning You, Tianlong Chen, Zhangyang Wang, Yang Shen☆21Updated last year
- The official source code for "Shift-Robust Molecular Relational Learning with Causal Substructure"☆20Updated last year
- Ratioanle-aware Graph Contrastive Learning codebase☆39Updated last year
- [ICML 2023] Structural Re-weighting Improves Graph Domain Adaptation (StruRW)☆21Updated last year
- Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).☆14Updated 11 months ago
- ☆44Updated last month