[ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen
☆57Jun 20, 2024Updated 2 years ago
Alternatives and similar repositories for LDM-3DG
Users that are interested in LDM-3DG are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆74Nov 2, 2024Updated last year
- ☆20Oct 26, 2024Updated last year
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆23Jun 3, 2024Updated 2 years ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆59May 6, 2024Updated 2 years ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆61Sep 6, 2024Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Geometric Latent Diffusion Models for 3D Molecule Generation☆274Jun 9, 2023Updated 3 years ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆243May 30, 2025Updated last year
- ☆12Nov 16, 2023Updated 2 years ago
- Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)☆20Dec 1, 2022Updated 3 years ago
- Official code base for "General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design"☆15Jul 18, 2025Updated last year
- ☆575Jul 10, 2022Updated 4 years ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆346Jan 10, 2024Updated 2 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆97Jul 23, 2024Updated 2 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆137Jun 9, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆34Feb 28, 2022Updated 4 years ago
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆61Jun 4, 2024Updated 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 GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆22Mar 26, 2024Updated 2 years ago
- A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.☆32Dec 18, 2023Updated 2 years ago
- A Euclidean diffusion model for structure-based drug design.☆531Jun 25, 2025Updated last year
- Official repository for MolCRAFT series☆159Oct 27, 2025Updated 10 months ago
- Papers about Structure-based Drug Design (SBDD)☆152Sep 1, 2025Updated last year
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆116Sep 18, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆39Sep 6, 2024Updated 2 years ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆57Nov 11, 2023Updated 2 years ago
- Implementation for SE(3) diffusion model with application to protein backbone generation☆424Jul 3, 2023Updated 3 years ago
- Diffusion model based protein-ligand flexible docking method☆121Oct 30, 2024Updated last year
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆46Sep 1, 2026Updated 2 weeks ago
- Fast protein backbone generation with SE(3) flow matching.☆330Jul 19, 2024Updated 2 years ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆352Apr 10, 2026Updated 5 months ago
- ChemPile project☆19Jul 31, 2025Updated last year
- Source code for "A universal framework for accurate and efficient geometric deep learning of molecular systems" (Nature Scientific Report…☆73Nov 12, 2025Updated 10 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- [ICML 2025] GitHub repository for LDMol, a latent text-to-molecule diffusion model.☆26Jun 24, 2025Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆45Apr 2, 2025Updated last year
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆318Apr 13, 2026Updated 5 months ago
- ☆22May 28, 2025Updated last year
- ☆12Oct 4, 2021Updated 4 years ago
- [NeurIPS '23] Official code of "A Hierarchical Spatial Transformer for Massive Point Samples in Continuous Space"☆14Jul 13, 2025Updated last year
- Deep Learning model for protein and ligand complex structure prediction from sequences and SMILES☆12Oct 31, 2023Updated 2 years ago