rdk / p2rankLinks
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
☆378Updated 3 weeks ago
Alternatives and similar repositories for p2rank
Users that are interested in p2rank are comparing it to the libraries listed below
Sorting:
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆352Updated 2 months ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆428Updated last year
- Official repo of the modular BioExcel version of HADDOCK☆216Updated last week
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆319Updated 3 months ago
- In silico directed evolution of peptide binders with AlphaFold☆257Updated this week
- Application to assign secondary structure to proteins☆233Updated last month
- Protein hallucination and inpainting with RoseTTAFold☆276Updated 2 years ago
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆288Updated last month
- Interface for AutoDock, molecule parameterization☆326Updated last month
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆274Updated 2 years ago
- ChatMol☆242Updated last month
- Protein-ligand structure prediction☆236Updated 5 months ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆326Updated last year
- BioPhi is an open-source antibody design platform. It features methods for automated antibody humanization (Sapiens), humanness evaluatio…☆219Updated 7 months ago
- ☆207Updated 8 months ago
- Let LLM run your MDs.☆238Updated 3 months ago
- Antibody Numbering and Antigen Receptor ClassIfication☆256Updated last year
- Rifdock Library for Conformational Search☆166Updated last year
- Code for ColabDock paper☆150Updated 8 months ago
- ☆145Updated 5 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆279Updated 2 weeks ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆226Updated 3 months ago
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆219Updated 2 months ago
- ☆408Updated 2 months ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆128Updated 2 years ago
- ☆382Updated last year
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆216Updated 5 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆170Updated 3 months ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆267Updated last month
- Predict the structure of immune receptor proteins☆167Updated 2 months ago