gcorso / DiffDockLinks
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
☆1,315Updated 4 months ago
Alternatives and similar repositories for DiffDock
Users that are interested in DiffDock are comparing it to the libraries listed below
Sorting:
- Code for the ProteinMPNN paper☆1,441Updated last year
- Making Protein Design accessible to all via Google Colab!☆796Updated 3 weeks ago
- ☆749Updated 3 months ago
- A deep learning framework for molecular docking☆768Updated last month
- User friendly and accurate binder design pipeline☆765Updated last month
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆685Updated last year
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆515Updated 6 months ago
- Diffusion models of protein structure; trigonometry and attention are all you need!☆554Updated last year
- ColabFold on your local PC☆751Updated 2 months ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆607Updated last year
- List of papers about Proteins Design using Deep Learning☆1,770Updated last week
- A generative model for programmable protein design☆762Updated last year
- AutoDock Vina☆800Updated 2 months ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆909Updated this week
- Public RFDiffusionAA repo☆438Updated last year
- Protein Graph Library☆1,127Updated 3 weeks ago
- Listing of papers about machine learning for proteins.☆1,661Updated last year
- Generation of protein sequences and evolutionary alignments via discrete diffusion models☆637Updated 3 months ago
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆565Updated last week
- OmegaFold Release Code☆598Updated 2 years ago
- Foldseek enables fast and sensitive comparisons of large structure sets.☆1,060Updated last week
- List of Molecular and Material design using Generative AI and Deep Learning☆859Updated this week
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆475Updated 8 months ago
- ☆439Updated 7 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆580Updated 2 months ago
- A Euclidean diffusion model for structure-based drug design.☆448Updated 2 months ago
- ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit a…☆1,246Updated 3 months ago
- AI-powered ab initio biomolecular dynamics simulation☆541Updated 6 months ago
- RoseTTAFold2 protein/nucleic acid complex prediction☆365Updated last year
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies☆371Updated 2 years ago