kliment-olechnovic / voronota
Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic balls.
☆27Updated last week
Related projects ⓘ
Alternatives and complementary repositories for voronota
- An open-source library for the analysis of protein interactions.☆29Updated 2 years ago
- Calculation of interatomic interactions in molecular structures☆72Updated 2 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆22Updated last month
- ☆31Updated 3 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆31Updated last year
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆27Updated this week
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆60Updated 2 months ago
- development repository for PyInteraph2☆21Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated 9 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆25Updated 7 months ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆37Updated last week
- Bioinformatics and Cheminformatics protocols for peptide analysis☆35Updated last year
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆39Updated this week
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated last year
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆23Updated 9 months ago
- ☆27Updated 6 months ago
- MMTSB Tool Set☆30Updated last week
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated last month
- Protein structure descriptors and alignment based on 3D Zernike moments.☆33Updated 9 months ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆24Updated 7 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆37Updated last year
- Python package to manage protein structures and their annotations☆40Updated 8 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆28Updated 11 months ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆43Updated 3 years ago
- ☆36Updated 3 years ago
- ☆84Updated last year
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆29Updated 4 years ago
- Source code and examples for AlphaFold Unmasked☆37Updated last week
- Updated version of Silicos-it's shape-based alignment tool☆40Updated 7 months ago
- Contact map analysis for biomolecules; based on MDTraj☆42Updated 3 months ago