MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
☆113Sep 18, 2024Updated last year
Alternatives and similar repositories for MiDi
Users that are interested in MiDi are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Geometric Latent Diffusion Models for 3D Molecule Generation☆273Jun 9, 2023Updated 2 years ago
- code for the paper "DiGress: Discrete Denoising diffusion for graph generation"☆506Apr 3, 2025Updated 11 months ago
- A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)☆234May 30, 2025Updated 9 months ago
- MDM☆56Feb 9, 2024Updated 2 years ago
- ☆19May 15, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆324Jan 10, 2024Updated 2 years ago
- ☆556Jul 10, 2022Updated 3 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆89Jul 23, 2024Updated last year
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆408May 17, 2023Updated 2 years ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆53Nov 11, 2023Updated 2 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆373Apr 17, 2024Updated last year
- Code for the paper "Generative Modelling of Structurally Constrained Graphs"☆17Mar 31, 2025Updated 11 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- 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.
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆205Mar 13, 2026Updated last week
- source code for deppHop☆36Aug 19, 2022Updated 3 years ago
- ☆36Jun 30, 2024Updated last year
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆281Feb 10, 2024Updated 2 years ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆20Mar 26, 2024Updated last year
- Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation☆36Jun 11, 2023Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Mar 29, 2024Updated last year
- GNN enabled surrogate modeling for chemical docking☆16Nov 3, 2022Updated 3 years ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆53Nov 5, 2025Updated 4 months 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.
- Graph Neural Networks for Drug Efficacy Prediction☆11Sep 11, 2022Updated 3 years ago
- High-performance operations for neural network potentials☆102Feb 4, 2026Updated last month
- GEOM: Energy-annotated molecular conformations☆242Apr 24, 2022Updated 3 years ago
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆54Jun 20, 2024Updated last year
- 3D_Molecular_Generation☆107Nov 23, 2024Updated last year
- The official repository of Uni-pKa☆95Apr 1, 2025Updated 11 months ago
- ☆12Jul 5, 2024Updated last year
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆53Jul 22, 2025Updated 8 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆40Oct 30, 2023Updated 2 years ago
- 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.
- ☆148Jul 31, 2025Updated 7 months ago
- EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D☆28Jan 31, 2023Updated 3 years ago
- ☆27Jul 3, 2024Updated last year
- Refined and extended version of ChemTS☆121Mar 11, 2026Updated 2 weeks ago
- G-SchNet extension for SchNetPack☆64Nov 13, 2025Updated 4 months ago
- ☆13Oct 9, 2024Updated last year
- Awesome papers related to generative molecular modeling and design.☆341Jul 20, 2025Updated 8 months ago