hanjq17 / EGHNLinks
[NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
☆30Updated last year
Alternatives and similar repositories for EGHN
Users that are interested in EGHN are comparing it to the libraries listed below
Sorting:
- Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆27Updated 2 months ago
- ☆59Updated 9 months ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆37Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆84Updated 3 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆96Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- ☆20Updated 2 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆47Updated 2 years ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆49Updated last year
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆43Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆37Updated 5 months ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆44Updated last month
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆47Updated 2 years ago
- ☆18Updated 2 years ago
- A curated list of papers related to molecular diffusion models.☆59Updated 3 months ago
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆39Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆124Updated last year
- Data and code for graph neural network accelerated molecular dynamics☆42Updated 3 years ago
- Triplet Graph Transformer☆46Updated last year
- EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D☆26Updated 2 years ago
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆62Updated last year
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆56Updated last year
- List of Geometric GNNs for 3D atomic systems☆115Updated last year
- ☆17Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆71Updated last year
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆48Updated 2 years ago
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆55Updated last year
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆105Updated last year