MinkaiXu / GeoLDMLinks
Geometric Latent Diffusion Models for 3D Molecule Generation
☆252Updated 2 years ago
Alternatives and similar repositories for GeoLDM
Users that are interested in GeoLDM are comparing it to the libraries listed below
Sorting:
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆103Updated 9 months ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆359Updated 2 years ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆240Updated 4 months ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆206Updated 3 weeks ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆139Updated 7 months ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆47Updated last year
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆335Updated last year
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆51Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆72Updated 3 weeks ago
- ☆512Updated 2 years ago
- GEOM: Energy-annotated molecular conformations☆227Updated 3 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆90Updated 2 years ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆268Updated last year
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆232Updated 6 months ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆265Updated last year
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆47Updated last year
- ☆56Updated 6 months ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆35Updated last month
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆120Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆60Updated 11 months ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆36Updated last year
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆272Updated 4 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆108Updated this week
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆311Updated last year
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆53Updated last year
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆173Updated 2 years ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆167Updated 3 years ago
- E(3) Steerable Graph Neural Network☆118Updated 2 years ago
- Awesome papers related to generative molecular modeling and design.☆327Updated 6 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆229Updated 3 weeks ago