cvignac / MiDi
MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
☆97Updated 5 months ago
Alternatives and similar repositories for MiDi:
Users that are interested in MiDi are comparing it to the libraries listed below
- Geometric Latent Diffusion Models for 3D Molecule Generation☆230Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆41Updated last year
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆42Updated 8 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆88Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆43Updated 6 months ago
- GEOM: Energy-annotated molecular conformations☆213Updated 2 years ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆117Updated 8 months ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization (Nature CommsChem)☆188Updated 5 months ago
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆28Updated 10 months ago
- ☆55Updated 2 months ago
- A GFlowNet with a chemical synthesis action space.☆46Updated 3 weeks ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆106Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆91Updated 6 months ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆24Updated last month
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆95Updated last week
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆31Updated 8 months ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆108Updated 3 months ago
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆46Updated last year
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆234Updated last year
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆44Updated 8 months ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆227Updated last week
- MDM☆47Updated last year
- A deep neural network with hybrid architecture (EGNN + Transformer) for molecular properties prediction.☆17Updated last year
- Papers about Structure-based Drug Design (SBDD)☆93Updated 2 months ago
- List of Geometric GNNs for 3D atomic systems☆99Updated 11 months ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆55Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆49Updated 3 weeks ago
- The official implementation of dual-view molecule pre-training.☆39Updated 3 years ago
- ☆156Updated 11 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆91Updated last year