gcorso / DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
☆1,098Updated 2 months ago
Related projects ⓘ
Alternatives and complementary repositories for DiffDock
- Code for the ProteinMPNN paper☆1,046Updated 3 months ago
- Making Protein Design accessible to all via Google Colab!☆625Updated this week
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆482Updated last year
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆595Updated 5 months ago
- ☆649Updated 3 months ago
- Diffusion models of protein structure; trigonometry and attention are all you need!☆520Updated 11 months ago
- ColabFold on your local PC☆610Updated 3 weeks ago
- A deep learning framework for molecular docking☆632Updated this week
- Public RFDiffusionAA repo☆321Updated 4 months ago
- ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit a…☆1,128Updated 9 months ago
- OmegaFold Release Code☆555Updated last year
- An open-source platform for developing protein models beyond AlphaFold.☆378Updated 4 months ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆492Updated 3 months ago
- AutoDock Vina☆617Updated last week
- RoseTTAFold2 protein/nucleic acid complex prediction☆333Updated 5 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆465Updated 3 months ago
- List of Molecular and Material design using Generative AI and Deep Learning☆681Updated this week
- Protein Graph Library☆1,043Updated last month
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆785Updated 4 months ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆371Updated last month
- AI-powered ab initio biomolecular dynamics simulation☆379Updated 2 weeks ago
- Foldseek enables fast and sensitive comparisons of large structure sets.☆834Updated this week
- Listing of papers about machine learning for proteins.☆1,538Updated 5 months ago
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies☆328Updated last year
- An all-atom protein structure dataset for machine learning.☆339Updated 8 months ago
- Official Repository for the Uni-Mol Series Methods☆722Updated this week
- A trainable PyTorch reproduction of AlphaFold 3.☆666Updated this week
- User friendly and accurate binder design pipeline☆300Updated 2 weeks ago
- List of papers about Proteins Design using Deep Learning☆1,463Updated last week
- A Euclidean diffusion model for structure-based drug design.☆341Updated last month