GenSI-THUAIR / GeoBFNLinks
Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
☆59Updated last year
Alternatives and similar repositories for GeoBFN
Users that are interested in GeoBFN are comparing it to the libraries listed below
Sorting:
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆80Updated last year
- Official repository for MolCRAFT series☆135Updated 2 months ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆69Updated 2 years ago
- Papers about Structure-based Drug Design (SBDD)☆138Updated 4 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆101Updated 2 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆41Updated 9 months ago
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆100Updated 7 months ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆52Updated 2 years ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆104Updated 9 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆99Updated 2 years ago
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆73Updated 2 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆103Updated last year
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆50Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆101Updated 7 months ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆39Updated 6 months ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆53Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆71Updated last year
- Efficient 3D molecular generation with flow-matching and Semla☆52Updated 5 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆131Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆70Updated last year
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆43Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆135Updated 5 months ago
- Official repository of ReactZyme☆37Updated last year
- A GFlowNet with a chemical synthesis action space.☆109Updated 11 months ago
- ☆34Updated 9 months ago
- ☆16Updated last year
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆78Updated last month
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆174Updated 3 weeks ago
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆34Updated last year