Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
☆243Dec 29, 2023Updated 2 years ago
Alternatives and similar repositories for DiffDock-PP
Users that are interested in DiffDock-PP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆260Sep 22, 2023Updated 2 years ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,572May 2, 2025Updated last year
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆370Jun 29, 2023Updated 3 years ago
- ☆256May 22, 2023Updated 3 years ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆545Mar 22, 2026Updated 5 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆102Jul 29, 2024Updated 2 years ago
- Implementation for SE(3) diffusion model with application to protein backbone generation☆424Jul 3, 2023Updated 3 years ago
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies☆431Sep 9, 2026Updated last week
- Plausibility checks for generated molecule poses.☆403Updated this week
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆135Feb 26, 2025Updated last year
- Making Protein Design accessible to all via Google Colab!☆939Aug 28, 2026Updated 3 weeks ago
- AlphaFold-initiated replica exchange protein docking☆94Jun 5, 2025Updated last year
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆179Apr 6, 2023Updated 3 years ago
- Database of Interacting Protein Structures (DIPS)☆106Jan 26, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆778Jun 19, 2024Updated 2 years ago
- ☆219Sep 24, 2024Updated last year
- De Novo Protein Design by Equivariantly Diffusing Oriented Residue Clouds☆189Apr 21, 2024Updated 2 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆308Dec 23, 2025Updated 8 months ago
- Diffusion models of protein structure; trigonometry and attention are all you need!☆568Sep 9, 2026Updated last week
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆298Dec 10, 2024Updated last year
- A Euclidean diffusion model for structure-based drug design.☆531Jun 25, 2025Updated last year
- RoseTTAFold2 protein/nucleic acid complex prediction☆380Jun 3, 2024Updated 2 years ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆332Oct 28, 2024Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆179Jun 25, 2026Updated 2 months ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆346Jan 10, 2024Updated 2 years ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆549Feb 19, 2025Updated last year
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆397Apr 17, 2024Updated 2 years ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆410Nov 16, 2023Updated 2 years ago
- ☆110Apr 1, 2023Updated 3 years ago
- Code for the ProteinMPNN paper☆1,854Aug 14, 2024Updated 2 years ago
- ☆100Oct 15, 2024Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆107Jul 30, 2024Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆279Apr 27, 2025Updated last year
- ☆822May 18, 2026Updated 4 months ago
- Improved antibody structure-based design using inverse folding☆176Dec 9, 2025Updated 9 months ago
- ☆214Apr 21, 2025Updated last year
- Code for running RFdiffusion☆3,052Jul 15, 2026Updated 2 months ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆408Sep 6, 2026Updated 2 weeks ago
- Chai-1, SOTA model for biomolecular structure prediction☆1,998Jun 30, 2026Updated 2 months ago