kliment-olechnovic / voronotaLinks
Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic balls.
☆39Updated this week
Alternatives and similar repositories for voronota
Users that are interested in voronota are comparing it to the libraries listed below
Sorting:
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated 2 weeks ago
- Protein structure descriptors and alignment based on 3D Zernike moments.☆38Updated last year
- ☆78Updated 2 months ago
- An open-source library for the analysis of protein interactions.☆33Updated 4 years ago
- Real-time structure motif searching in protein 3D structures using an inverted index strategy☆14Updated 5 months ago
- Calculation of interatomic interactions in molecular structures☆114Updated last year
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated 3 weeks ago
- ☆46Updated last month
- Modelling protein conformational landscape with Alphafold☆54Updated 3 months ago
- Modelling of Large Protein Complexes☆39Updated 4 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆112Updated 2 weeks ago
- Repo contains source code of the SurfaceID paper☆27Updated last year
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆41Updated 3 months ago
- Python interface for the RCSB PDB search API.☆65Updated 8 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 6 months ago
- A Unified Approach to Protein Engineering☆42Updated last year
- Score-based 3D molecule generation with neural fields - NeurIPS 2024☆27Updated last year
- Fast and versatile biomolecular structure PDB file parser using SQL queries☆24Updated 2 years ago
- mdml: Deep Learning for Molecular Simulations☆48Updated 7 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆59Updated 3 weeks ago
- A simple Python library to generate model peptides☆90Updated 5 years ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆47Updated last year
- A benchmark dataset for protein-ligand co-folding prediction☆41Updated 4 months ago
- A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"☆39Updated 2 years ago
- Fast, accurate, and deterministic protein side-chain packing☆36Updated 9 months ago
- Contact map analysis for biomolecules; based on MDTraj☆47Updated last year
- Physical energy function for protein sequence design☆34Updated 2 years ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆73Updated 2 months ago
- Material from papers from KULL centre☆71Updated last year