LPDI-EPFL / masifLinks
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
☆664Updated last year
Alternatives and similar repositories for masif
Users that are interested in masif are comparing it to the libraries listed below
Sorting:
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆510Updated 4 months ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆584Updated 11 months ago
- A deep learning framework for molecular docking☆737Updated 3 weeks ago
- Making Protein Design accessible to all via Google Colab!☆755Updated last month
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies☆365Updated last year
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆557Updated 3 weeks ago
- Get protein embeddings from protein sequences☆493Updated 2 years ago
- ☆357Updated last month
- User friendly and accurate binder design pipeline☆591Updated last week
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,284Updated 2 months ago
- UniRep model, usage, and examples.☆353Updated 3 years ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆244Updated last year
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆879Updated 2 weeks ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆312Updated 8 months ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆333Updated 2 years ago
- PDBFixer fixes problems in PDB files☆554Updated 4 months ago
- A collection of *fold* tools☆294Updated 9 months ago
- Public RFDiffusionAA repo☆406Updated last year
- RoseTTAFold2 protein/nucleic acid complex prediction☆360Updated last year
- Official Python client for accessing ChEMBL API☆409Updated 5 months ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆332Updated 3 weeks ago
- ☆403Updated 5 months ago
- Cloud-based molecular simulations for everyone☆437Updated last month
- Protein hallucination and inpainting with RoseTTAFold☆262Updated 2 years ago
- An all-atom protein structure dataset for machine learning.☆353Updated last year
- AutoDock Vina☆757Updated last month
- ☆213Updated 2 years ago
- Deep functional residue identification☆324Updated 2 years ago
- A Euclidean diffusion model for structure-based drug design.☆430Updated 2 weeks ago
- ColabFold on your local PC☆716Updated 2 weeks ago