Alternatives and similar repositories for voronota

Users that are interested in voronota are comparing it to the libraries listed below

• ELELAB / pyinteraph2
  development repository for PyInteraph2
  ☆22Updated 3 months ago
• haddocking / arctic3d
  Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information
  ☆30Updated 2 weeks ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• pstansfeld / MemProtMD
  ☆42Updated last month
• KULL-Centre / CALVADOS
  ☆66Updated last week
• biocryst / biozernike
  Protein structure descriptors and alignment based on 3D Zernike moments.
  ☆36Updated last year
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆48Updated 2 weeks ago
• iamysk / AFsample2
  Modelling protein conformational landscape with Alphafold
  ☆51Updated this week
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆96Updated 9 months ago
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆31Updated 2 weeks ago
• PDBeurope / ccdutils
  A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…
  ☆57Updated 3 months ago
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆41Updated last year
• srnas / barnaba
  Analyse Nucleic Acids Structure and Simulations with baRNAba
  ☆44Updated last year
• mirabdi / PDAnalysis
  ☆32Updated last year
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆49Updated last week
• GMdSilva / gms_natcomms_1705932980_data
  Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2
  ☆39Updated last year
• kamerlinlab / KIN
  Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…
  ☆17Updated last year
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆29Updated 3 weeks ago
• mmtsb / toolset
  MMTSB Tool Set
  ☆31Updated last month
• patrickbryant1 / RareFold
  Structure prediction and design of proteins with noncanonical amino acids
  ☆72Updated 3 weeks ago
• chavesejf / PBEE
  A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes
  ☆34Updated 3 months ago
• svats73 / mdml
  mdml: Deep Learning for Molecular Simulations
  ☆42Updated last month
• data2code / afpdb
  Efficient manipulation of protein structures in Python
  ☆54Updated 7 months ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated last month
• RosettaCommons / Rosetta-DL
  A bundle of deep-learning packages for biomolecular structure prediction and design contributed to the Rosetta Commons
  ☆35Updated 2 years ago
• Graylab / DFMDock
  DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.
  ☆47Updated last week
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆40Updated last year
• bwicky / oligomer_hallucination
  ☆35Updated last year
• prescient-design / funcmol
  Score-based 3D molecule generation with neural fields
  ☆23Updated 6 months ago
• tiwarylab / alphafold2rave
  ☆68Updated 11 months ago