[NeurIPS 2024] Implementation of "Enhancing Graph Transformers with Hierarchical Distance Structural Encoding"
☆16May 19, 2025Updated 10 months ago
Alternatives and similar repositories for HDSE
Users that are interested in HDSE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official Pytorch implementation of Chromatic Graph Transformers☆10Jun 14, 2023Updated 2 years ago
- Official implementation for "Cluster-wise Graph Transformer with Dual-granularity Kernelized Attention" (NeurIPS2024 Spotlight)☆17Oct 10, 2024Updated last year
- Official Repository for NeurIPS 2024 Paper Unifying Generation and Prediction on Graphs with Latent Graph Diffusion☆42Dec 17, 2024Updated last year
- The official implementation of ``CKGConv: General Graph Convolution with Continuous Kernels'' (ICML 2024)☆32Aug 5, 2024Updated last year
- Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs☆20Nov 6, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆13Feb 4, 2025Updated last year
- [ICLR 2025] Implementation of "Node Identifiers: Compact, Discrete Representations for Efficient Graph Learning"☆17Jun 6, 2025Updated 9 months ago
- [NeurIPS 2023] Implementation of "Improving Self-supervised Molecular Representation Learning using Persistent Homology"☆15Nov 16, 2023Updated 2 years ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆65Jul 29, 2025Updated 7 months ago
- ☆16Nov 22, 2022Updated 3 years ago
- The code for GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning☆66Feb 22, 2024Updated 2 years ago
- Test version of frechet☆14Mar 30, 2025Updated 11 months ago
- The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured …☆79Jul 25, 2024Updated last year
- Code for ICLR'24 Paper "Decoupling Weighing and Selecting for Integrating Multiple Graph Pre-training Tasks"☆10Mar 12, 2024Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- This is an official implementation for "GRIT: Graph Inductive Biases in Transformers without Message Passing".☆128Aug 20, 2025Updated 7 months ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆31Jun 24, 2025Updated 9 months ago
- ☆16Oct 24, 2021Updated 4 years ago
- ☆14Nov 21, 2023Updated 2 years ago
- ☆13Dec 5, 2024Updated last year
- MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION☆20Sep 23, 2025Updated 6 months ago
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆32Oct 5, 2023Updated 2 years ago
- Directional diffusion models☆43Oct 31, 2024Updated last year
- Benchmarking Recommendation Abilities for Large Language Models☆31Mar 10, 2026Updated 2 weeks ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Codebase of the paper "Aligning Protein Conformation Ensemble Generation with Physical Feedback" (ICML 2025)☆16Jul 6, 2025Updated 8 months ago
- Triplet Graph Transformer☆50Sep 17, 2025Updated 6 months ago
- [WSDM 2022] Efficient Graph Convolution for Joint Node Representation Learning and Clustering☆20Jan 26, 2024Updated 2 years ago
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆40Mar 16, 2024Updated 2 years ago
- [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)☆219Mar 31, 2023Updated 2 years ago
- Topic taxonomy completion with hierarchical discovery of novel topic clusters☆24Mar 7, 2022Updated 4 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆129Jun 9, 2023Updated 2 years ago
- Official implementation of TACCO (Task-guided Co-clustering).☆15Aug 31, 2024Updated last year
- The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."☆11May 28, 2025Updated 9 months ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- The official source code for HyGCL-AdT that is published to WWW 24.☆12Mar 12, 2024Updated 2 years ago
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆42Jul 9, 2023Updated 2 years ago
- Coarse-grained Diffusion for Metal-Organic Framework Design☆61Jun 18, 2024Updated last year
- Official implementation of paper: MolAE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective (icml 2024)☆13Jul 4, 2024Updated last year
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆44Jun 14, 2023Updated 2 years ago
- Towards Better Graph Representation Learning with Parameterized Decomposition & Filtering☆13Aug 22, 2023Updated 2 years ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆107Jun 3, 2025Updated 9 months ago