Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)
☆235Dec 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☆257Sep 22, 2023Updated 2 years ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,513May 2, 2025Updated last year
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆361Jun 29, 2023Updated 2 years ago
- ☆247May 22, 2023Updated 3 years ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆526Mar 22, 2026Updated 2 months ago
- AI Agents on 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.
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆99Jul 29, 2024Updated last year
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies☆416Sep 3, 2023Updated 2 years ago
- Implementation for SE(3) diffusion model with application to protein backbone generation☆421Jul 3, 2023Updated 2 years ago
- Plausibility checks for generated molecule poses.☆375Mar 7, 2026Updated 2 months ago
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆129Feb 26, 2025Updated last year
- AlphaFold-initiated replica exchange protein docking☆91Jun 5, 2025Updated 11 months ago
- Making Protein Design accessible to all via Google Colab!☆914Apr 6, 2026Updated last month
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆754Jun 19, 2024Updated last year
- Database of Interacting Protein Structures (DIPS)☆105Jan 26, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆213Sep 24, 2024Updated last year
- De Novo Protein Design by Equivariantly Diffusing Oriented Residue Clouds☆188Apr 21, 2024Updated 2 years ago
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆179Apr 6, 2023Updated 3 years ago
- Diffusion models of protein structure; trigonometry and attention are all you need!☆568Dec 12, 2023Updated 2 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆297Dec 23, 2025Updated 4 months ago
- A Euclidean diffusion model for structure-based drug design.☆504Jun 25, 2025Updated 10 months ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆286Dec 10, 2024Updated last year
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆334Oct 28, 2024Updated last year
- RoseTTAFold2 protein/nucleic acid complex prediction☆380Jun 3, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆384Apr 17, 2024Updated 2 years ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆339Jan 10, 2024Updated 2 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆174Feb 6, 2026Updated 3 months ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆543Feb 19, 2025Updated last year
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆401Nov 16, 2023Updated 2 years ago
- ☆109Apr 1, 2023Updated 3 years ago
- Code for the ProteinMPNN paper☆1,725Aug 14, 2024Updated last year
- ☆99Oct 15, 2024Updated last year
- ☆809Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆273Apr 27, 2025Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆106Jul 30, 2024Updated last year
- ☆212Apr 21, 2025Updated last year
- Code for running RFdiffusion☆2,871Apr 24, 2026Updated 3 weeks ago
- Improved antibody structure-based design using inverse folding☆161Dec 9, 2025Updated 5 months ago
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆389Feb 26, 2026Updated 2 months ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆392Sep 16, 2025Updated 8 months ago