gcorso / DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
☆1,233Updated this week
Alternatives and similar repositories for DiffDock:
Users that are interested in DiffDock are comparing it to the libraries listed below
- Code for the ProteinMPNN paper☆1,259Updated 8 months ago
- ☆707Updated 9 months ago
- Making Protein Design accessible to all via Google Colab!☆725Updated last month
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆506Updated 2 months ago
- Diffusion models of protein structure; trigonometry and attention are all you need!☆539Updated last year
- User friendly and accurate binder design pipeline☆517Updated last month
- A deep learning framework for molecular docking☆710Updated last week
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆564Updated 8 months ago
- Public RFDiffusionAA repo☆390Updated 10 months ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆653Updated 10 months ago
- ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit a…☆1,199Updated 3 months ago
- Listing of papers about machine learning for proteins.☆1,609Updated 11 months ago
- A generative model for programmable protein design☆730Updated last year
- OmegaFold Release Code☆581Updated 2 years ago
- AI-powered ab initio biomolecular dynamics simulation☆501Updated 2 months ago
- ColabFold on your local PC☆695Updated 2 weeks ago
- Generation of protein sequences and evolutionary alignments via discrete diffusion models☆590Updated 3 months ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆437Updated 4 months ago
- Foldseek enables fast and sensitive comparisons of large structure sets.☆968Updated last week
- List of Molecular and Material design using Generative AI and Deep Learning☆792Updated this week
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies☆355Updated last year
- AutoDock Vina☆722Updated 2 months ago
- ☆308Updated 9 months ago
- List of papers about Proteins Design using Deep Learning☆1,659Updated this week
- Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…☆692Updated 2 years ago
- Colab Notebooks covering deep learning tools for biomolecular structure prediction and design☆373Updated last month
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.☆477Updated last month
- Official Repository for the Uni-Mol Series Methods☆843Updated last week
- An open-source platform for developing protein models beyond AlphaFold.☆392Updated 10 months ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆854Updated last month