kliment-olechnovic / voronota
Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic balls.
☆33Updated last week
Alternatives and similar repositories for voronota:
Users that are interested in voronota are comparing it to the libraries listed below
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆29Updated 2 weeks ago
- development repository for PyInteraph2☆22Updated last month
- ☆38Updated 3 weeks ago
- ☆32Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆46Updated this week
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated last month
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Protein structure descriptors and alignment based on 3D Zernike moments.☆34Updated last year
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆23Updated last month
- ☆57Updated last week
- Subpocket-based fingerprint for kinase pocket comparison☆32Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 6 months ago
- ☆14Updated 2 months ago
- ☆33Updated last year
- The OpenMM Cookbook and Tutorials☆42Updated last year
- MMTSB Tool Set☆31Updated 5 months ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆56Updated last month
- ☆68Updated 9 months ago
- Calculation of interatomic interactions in molecular structures☆91Updated 7 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆26Updated 2 months ago
- Contact map analysis for biomolecules; based on MDTraj☆45Updated 4 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆41Updated 2 years ago
- Automated construction of protein chimeras and their analysis.☆14Updated last year
- Modelling protein conformational landscape with Alphafold☆47Updated last week
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Updated 8 months ago
- ☆16Updated 2 weeks ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year
- ☆35Updated last year
- Modeling with limited data☆57Updated 5 months ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆29Updated 10 months ago