gcorso / DiffDockLinks
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
☆1,430Updated 9 months ago
Alternatives and similar repositories for DiffDock
Users that are interested in DiffDock are comparing it to the libraries listed below
Sorting:
- Making Protein Design accessible to all via Google Colab!☆877Updated 2 months ago
- ☆784Updated 8 months ago
- A deep learning framework for molecular docking☆843Updated last month
- Code for the ProteinMPNN paper☆1,615Updated last year
- User friendly and accurate binder design pipeline☆1,000Updated 5 months ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆728Updated last year
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆534Updated 11 months ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆654Updated last year
- AutoDock Vina☆909Updated last month
- ColabFold on your local PC☆820Updated 3 weeks ago
- Diffusion models of protein structure; trigonometry and attention are all you need!☆562Updated 2 years ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆959Updated this week
- Public RFDiffusionAA repo☆463Updated last year
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆676Updated 2 weeks ago
- AI-powered ab initio biomolecular dynamics simulation☆567Updated 11 months ago
- List of papers about Proteins Design using Deep Learning☆1,876Updated last week
- A generative model for programmable protein design☆795Updated last year
- Generation of protein sequences and evolutionary alignments via discrete diffusion models☆663Updated 3 weeks ago
- Listing of papers about machine learning for proteins.☆1,687Updated last year
- Protein Graph Library☆1,158Updated 2 weeks ago
- A Euclidean diffusion model for structure-based drug design.☆484Updated 7 months ago
- List of Molecular and Material design using Generative AI and Deep Learning☆913Updated last week
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆513Updated 3 months ago
- OmegaFold Release Code☆607Updated 3 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆640Updated 3 months ago
- Foldseek enables fast and sensitive comparisons of large structure sets.☆1,162Updated 3 weeks ago
- ☆533Updated last year
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies☆403Updated 2 years ago
- RoseTTAFold2 protein/nucleic acid complex prediction☆373Updated last year
- AutoDock for GPUs and other accelerators☆559Updated last month