LPDI-EPFL / masifLinks
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
☆679Updated 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☆513Updated 6 months ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆599Updated last year
- A deep learning framework for molecular docking☆757Updated last week
- Making Protein Design accessible to all via Google Colab!☆773Updated 2 months ago
- UniRep model, usage, and examples.☆356Updated 3 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆567Updated 2 months ago
- Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies☆371Updated last year
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆244Updated last year
- Public RFDiffusionAA repo☆426Updated last year
- User friendly and accurate binder design pipeline☆634Updated last week
- PDBFixer fixes problems in PDB files☆571Updated 5 months ago
- A collection of *fold* tools☆297Updated 2 weeks ago
- Protein hallucination and inpainting with RoseTTAFold☆265Updated 2 years ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆317Updated 9 months ago
- Get protein embeddings from protein sequences☆495Updated 2 years ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,306Updated 3 months ago
- An all-atom protein structure dataset for machine learning.☆354Updated last year
- ☆338Updated last year
- ☆217Updated 2 years ago
- RoseTTAFold2 protein/nucleic acid complex prediction☆363Updated last year
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆315Updated 2 weeks ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆305Updated last year
- Cloud-based molecular simulations for everyone☆442Updated last month
- Generative Models for Graph-Based Protein Design☆280Updated 4 years ago
- ✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)☆340Updated 2 years ago
- Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different dom…☆715Updated 2 years ago
- ☆426Updated 6 months ago
- Colab Notebooks covering deep learning tools for biomolecular structure prediction and design☆412Updated 4 months ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆291Updated 2 years ago
- Deep functional residue identification☆329Updated 2 years ago