cusbg / prankweb
Web application for protein-ligand binding sites analysis and visualization
☆11Updated last week
Alternatives and similar repositories for prankweb:
Users that are interested in prankweb are comparing it to the libraries listed below
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆10Updated last year
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆42Updated last year
- ☆85Updated last month
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆19Updated 4 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆31Updated last week
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 5 months ago
- Cloud-based Drug Binding Structure Prediction☆35Updated 3 weeks ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆50Updated last week
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆14Updated 4 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆19Updated 2 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆47Updated 2 weeks ago
- Fully automated high-throughput MD pipeline☆57Updated this week
- ☆38Updated 4 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆15Updated 5 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year
- ☆32Updated 11 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated last week
- Fully automated docking pipeline (can be run in distributed environments)☆43Updated last month
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- ☆38Updated last year
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- RF-Score-VS binary☆31Updated 6 years ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆25Updated 3 years ago
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last year
- ☆34Updated 11 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆20Updated last year
- Programs to calculate phys-chem properties of synthetic peptides and proteins: isoelectric point and extinction coefficients.☆33Updated 3 weeks ago
- ☆37Updated 2 years ago
- Python package to facilitate the use of popular docking software☆16Updated last year