cusbg / prankwebLinks
Web application for protein-ligand binding sites analysis and visualization
☆20Updated last month
Alternatives and similar repositories for prankweb
Users that are interested in prankweb are comparing it to the libraries listed below
Sorting:
- Cloud-based Drug Binding Structure Prediction☆46Updated this week
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆103Updated this week
- Ligand-Protein Interaction Mapping☆75Updated 9 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆58Updated this week
- ☆67Updated 9 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆55Updated last month
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆47Updated 2 months ago
- Quick mapping of Uniprot sequences to PDB structures☆36Updated 10 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 8 months ago
- ☆76Updated last year
- Fully automated high-throughput MD pipeline☆88Updated last week
- Scores for Hydrophobicity and Charges based on SASAs☆41Updated 7 months ago
- ☆101Updated 11 months ago
- Generate Simple Pharmacophore Models with RDKit☆42Updated last week
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆75Updated 3 months ago
- ☆47Updated last week
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆35Updated last year
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆13Updated 8 months ago
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆128Updated 3 weeks ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆54Updated last month
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆86Updated 3 months ago
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last month
- A model-context-protocol server for molecules.☆88Updated 9 months ago
- ☆55Updated last month
- Molecular Dynamics for Experimentalists☆65Updated 2 months ago
- Code for running BinderFlow☆57Updated 2 months ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆69Updated 2 months ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆37Updated 2 weeks ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆64Updated last month
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆31Updated last week