Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
☆1,520May 2, 2025Updated last year
Alternatives and similar repositories for DiffDock
Users that are interested in DiffDock are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆545Feb 19, 2025Updated last year
- A deep learning framework for molecular docking☆923Feb 26, 2026Updated 3 months ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆389Apr 17, 2024Updated 2 years ago
- A Euclidean diffusion model for structure-based drug design.☆508Jun 25, 2025Updated 11 months ago
- ☆810May 18, 2026Updated 3 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆296Dec 23, 2025Updated 5 months ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆236Dec 29, 2023Updated 2 years ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆284Feb 10, 2024Updated 2 years ago
- Plausibility checks for generated molecule poses.☆381Mar 7, 2026Updated 3 months ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆330Oct 6, 2025Updated 8 months ago
- Code for running RFdiffusion☆2,897Apr 24, 2026Updated last month
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆403Nov 16, 2023Updated 2 years ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆528Mar 22, 2026Updated 2 months ago
- Code for the ProteinMPNN paper☆1,751Aug 14, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Implementation for SE(3) diffusion model with application to protein backbone generation☆421Jul 3, 2023Updated 2 years ago
- AutoDock Vina☆997Feb 25, 2026Updated 3 months ago
- Uni-Dock: a GPU-accelerated molecular docking program☆298May 7, 2026Updated last month
- Protein-ligand structure prediction