cusbg / p2rank-frameworkLinks
The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc.
☆12Updated 4 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 4 months ago
- Cloud-based Drug Binding Structure Prediction☆38Updated 7 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- Web application for protein-ligand binding sites analysis and visualization☆18Updated 2 months ago
- DockCADD An automated computational framework for molecular docking☆15Updated 7 months ago
- Code for ApoDock☆20Updated 6 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆15Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆23Updated last year
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆30Updated last year
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆25Updated 11 months ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆13Updated 3 weeks ago
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆13Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆23Updated last year
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆13Updated 2 years ago
- ☆20Updated last year
- A fast sampling and analysis tool for biomolecules☆16Updated 8 months ago
- Official Implementation of CompassDock☆20Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆31Updated last month
- Explicit crosslinks in AlphaFold 3☆23Updated 6 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆37Updated 3 months ago
- ☆51Updated 5 months ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆19Updated 10 months ago
- Dockerized Version of the DiffDock model from MIT☆13Updated 2 years ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆29Updated last month
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆13Updated last year
- Script to facilitate the making of horizontal scripts☆19Updated last year
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆20Updated 11 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 7 months ago