zhangxwww / HyperFusion
☆12Updated last year
Alternatives and similar repositories for HyperFusion:
Users that are interested in HyperFusion are comparing it to the libraries listed below
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated 11 months ago
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆39Updated 2 years ago
- Triplet Graph Transformer☆40Updated 8 months ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆41Updated last year
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆21Updated 7 months ago
- ☆30Updated last year
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆32Updated last year
- Graph Denoising Diffusion for Inverse Protein Folding(NeurIPS 2023)☆60Updated 7 months ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆110Updated last year
- Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆22Updated 2 months ago
- Work on designing a graph co-attention algorithm.☆18Updated last year
- The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured …☆73Updated 7 months ago
- Multiresolution Graph Transformers and Wavelet Positional Encoding for Learning Long-Range and Hierarchical Structures☆21Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆117Updated 8 months ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆45Updated 3 years ago
- ☆19Updated last year
- Molecular Hypergraph Neural Network☆33Updated 7 months ago
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆162Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆89Updated 2 years ago
- Edge-Augmented Graph Transformer☆51Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 10 months ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆26Updated 3 weeks ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- A Text-guided Protein Design Framework, Nat Mach Intell 2025☆53Updated last month
- ☆91Updated 2 years ago
- ☆53Updated 3 years ago
- A library for subgraph GNN based on pyg☆41Updated 3 months ago
- ☆9Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 5 months ago