Alternatives and similar repositories for freesasa

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

• Electrostatics / apbs
  Software for biomolecular electrostatics and solvation calculations
  ☆107Updated 11 months ago
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆126Updated 2 years ago
• rlabduke / MolProbity
  Protein and nucleic acid validation service
  ☆86Updated last year
• harmslab / pdbtools
  A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files
  ☆178Updated 5 years ago
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆67Updated 2 months ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆78Updated 3 years ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆87Updated 4 years ago
• Electrostatics / pdb2pqr
  PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
  ☆151Updated 5 months ago
• drorlab / pensa
  PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
  ☆142Updated 6 months ago
• haddocking / haddock3
  Official repo of the modular BioExcel version of HADDOCK
  ☆181Updated last week
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆315Updated last year
• delalamo / af2_conformations
  A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2
  ☆96Updated 2 years ago
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated last month
• KULL-Centre / papers
  Material from papers from KULL centre
  ☆69Updated last year
• rlabduke / reduce
  Reduce - tool for adding and correcting hydrogens in PDB files
  ☆151Updated 3 months ago
• rcsb / py-rcsbsearchapi
  Python interface for the RCSB PDB search API.
  ☆64Updated 5 months ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆105Updated 11 months ago
• srnas / barnaba
  Analyse Nucleic Acids Structure and Simulations with baRNAba
  ☆45Updated last year
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆56Updated 3 weeks ago
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆159Updated last month
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆102Updated 4 months ago
• QVina / qvina
  Accurately speed up AutoDock Vina
  ☆153Updated last year
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆80Updated last year
• tlemmin / glycosylator
  Framework for the rapid modeling glycans and glycoproteins.
  ☆30Updated last year
• cmbi / hssp
  Create DSSP and HSSP files
  ☆93Updated last year
• mwojcikowski / smina
  ☆125Updated 6 years ago
• ShintaroMinami / PyDSSP
  A simplified implementation of DSSP algorithm for PyTorch and NumPy
  ☆91Updated 2 months ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆72Updated 4 months ago
• DeltaGroupNJUPT / Vina-GPU-2.0
  Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.
  ☆108Updated last year
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆27Updated this week