Geometric Latent Diffusion Models for 3D Molecule Generation
☆277Jun 9, 2023Updated 3 years ago
Alternatives and similar repositories for GeoLDM
Users that are interested in GeoLDM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆576Jul 10, 2022Updated 4 years ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆243May 30, 2025Updated last year
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆350Jan 10, 2024Updated 2 years ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆116Sep 18, 2024Updated 2 years ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆57Nov 11, 2023Updated 2 years ago
- AI Agents on 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.
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆421May 17, 2023Updated 3 years ago
- GEOM: Energy-annotated molecular conformations☆263Apr 24, 2022Updated 4 years ago
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆56Jun 20, 2024Updated 2 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆402Apr 17, 2024Updated 2 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆98Jul 23, 2024Updated 2 years ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆323Apr 13, 2026Updated 6 months ago
- A Euclidean diffusion model for structure-based drug design.☆537Jun 25, 2025Updated last year
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆51Jul 17, 2023Updated 3 years ago
- ☆551Feb 23, 2022Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- MDM☆59Feb 9, 2024Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆49Jul 27, 2023Updated 3 years ago
- code for the paper "DiGress: Discrete Denoising diffusion for graph generation"☆545Sep 10, 2026Updated last month
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆63Sep 6, 2024Updated 2 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆100Mar 2, 2023Updated 3 years ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆290Feb 11, 2025Updated last year
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆53Sep 14, 2023Updated 3 years ago
- ☆19May 15, 2023Updated 3 years ago
- An object-aware diffusion model for generating chemical reactions☆147May 29, 2024Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Implementation for SE(3) diffusion model with application to protein backbone generation☆427Jul 3, 2023Updated 3 years ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆414Nov 16, 2023Updated 2 years ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆72Jul 27, 2023Updated 3 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆108Jul 30, 2024Updated 2 years ago
- Diffusion model for 3D molecule generation that combines a classifiable diffusion model, Diffusion Transformer, with multihead equivarian…☆12Mar 12, 2025Updated last year
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆289Feb 10, 2024Updated 2 years ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,594May 2, 2025Updated last year
- Official repository for MolCRAFT series☆160Oct 27, 2025Updated last year
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆112Jul 20, 2023Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆65Mar 27, 2024Updated 2 years ago
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆39Jun 11, 2023Updated 3 years ago
- ☆15Dec 4, 2023Updated 2 years ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆370Jun 29, 2023Updated 3 years ago
- Fast protein backbone generation with SE(3) flow matching.☆328Jul 19, 2024Updated 2 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆46Apr 2, 2025Updated last year
- ☆63Dec 8, 2024Updated last year