cusbg / p2rank-frameworkLinks
The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc.
☆13Updated 5 months ago
Alternatives and similar repositories for p2rank-framework
Users that are interested in p2rank-framework are comparing it to the libraries listed below
Sorting:
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 6 months ago
- Cloud-based Drug Binding Structure Prediction☆43Updated last week
- Web application for protein-ligand binding sites analysis and visualization☆18Updated last week
- Code for ApoDock☆21Updated 7 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆30Updated last year
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆13Updated 2 years ago
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆15Updated 3 months ago
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆25Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆25Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆30Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆39Updated 5 months ago
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆14Updated last year
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated last week
- ☆12Updated last year
- ☆13Updated last year
- ☆20Updated last year
- ☆52Updated 6 months ago
- A fast sampling and analysis tool for biomolecules☆16Updated 10 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated 2 weeks ago
- Official Implementation of CompassDock☆20Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Updated 4 months ago
- DockCADD An automated computational framework for molecular docking☆15Updated 8 months ago
- Use AutoDock for Ligand-based Virtual Screening☆23Updated last year
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 2 months ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated 3 weeks ago
- Python rich client for visual protein Sequence to Structure Analysis☆18Updated last month