AlgoMole / GeoBFNLinks
Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
☆53Updated 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☆60Updated 11 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆90Updated 2 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆36Updated 2 months ago
- Official repository for MolCRAFT series☆96Updated 2 weeks ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆47Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆47Updated last year
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆36Updated last year
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆33Updated 3 weeks ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆95Updated 2 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated 10 months ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆72Updated 3 weeks ago
- Papers about Structure-based Drug Design (SBDD)☆114Updated 6 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆82Updated last month
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆40Updated last year
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆35Updated last month
- ☆64Updated last week
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆30Updated 9 months ago
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆74Updated last year
- A GFlowNet with a chemical synthesis action space.☆63Updated 4 months ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆76Updated 2 months ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆62Updated last year
- Official repository of ReactZyme☆33Updated 8 months ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆87Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆120Updated last year
- EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D☆24Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆67Updated last year
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆43Updated this week
- ☆56Updated 2 years ago
- ☆44Updated last year