GLAD-RUC / FastEGNNLinks
Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"
☆25Updated 3 weeks ago
Alternatives and similar repositories for FastEGNN
Users that are interested in FastEGNN are comparing it to the libraries listed below
Sorting:
- ☆126Updated last month
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆76Updated last month
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆30Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆46Updated last year
- Triplet Graph Transformer☆44Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆122Updated last year
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 10 months ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆36Updated last year
- ☆56Updated 7 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆92Updated 2 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆38Updated 3 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆63Updated 11 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆47Updated last year
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆21Updated 8 months ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆42Updated 2 years ago
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆54Updated last year
- List of Geometric GNNs for 3D atomic systems☆113Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆49Updated last year
- ☆16Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆17Updated last year
- Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…☆72Updated 8 months ago
- EquiTorch: A Modularized Package for Flexibly Constructing Equivariant GNNs Building upon Pytorch-Geometric☆12Updated 8 months ago
- ☆17Updated 2 years ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆36Updated last month
- Molecular Hypergraph Neural Network☆38Updated last week
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆120Updated 2 years ago
- Official repository for MolCRAFT series☆100Updated this week
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆46Updated 10 months ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago