rdk / p2rank
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
☆252Updated last week
Related projects ⓘ
Alternatives and complementary repositories for p2rank
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆225Updated 2 months ago
- Protein-ligand structure prediction☆205Updated 3 months ago
- ☆236Updated 5 months ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆300Updated 2 months ago
- ☆118Updated last year
- Interaction Fingerprints for protein-ligand complexes and more☆373Updated 3 weeks ago
- Deep learning models and structure realization scripts for the DeepAb antibody structure prediction method.☆148Updated last year
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆267Updated 7 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆199Updated 6 months ago
- A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…☆159Updated last week
- Official repo of the modular BioExcel version of HADDOCK☆112Updated this week
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆135Updated 2 months ago
- A compilation of deep learning methods for protein design☆94Updated 2 years ago
- Accurately speed up AutoDock Vina☆131Updated last year
- Protein hallucination and inpainting with RoseTTAFold☆246Updated last year
- Application to assign secondary structure to proteins☆168Updated last month
- Code for ColabDock paper☆127Updated last month
- Rifdock Library for Conformational Search☆143Updated 6 months ago
- Interface for AutoDock, molecule parameterization☆205Updated this week
- Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.☆150Updated 2 months ago
- Predict the binding affinity of protein-protein complexes from structural data☆110Updated last month
- trRosetta for protein design☆172Updated 3 years ago
- Predict the structure of immune receptor proteins☆120Updated 5 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆259Updated last year
- Masif seed paper repository☆137Updated last year
- BioPhi is an open-source antibody design platform. It features methods for automated antibody humanization (Sapiens), humanness evaluatio…☆154Updated 2 months ago
- In silico directed evolution of peptide binders with AlphaFold☆127Updated last month
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆99Updated last year
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆229Updated 3 weeks ago
- ☆180Updated 2 months ago