Alternatives and similar repositories for pyinteraph

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

• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆44Updated 2 years ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• mmtsb / toolset
  MMTSB Tool Set
  ☆31Updated last week
• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆46Updated 8 months ago
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆79Updated 9 months ago
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆30Updated 7 months ago
• speleo3 / pymol-psico
  Pymol ScrIpt COllection (PSICO)
  ☆60Updated 2 weeks ago
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆67Updated 2 months ago
• wolberlab / pyrod
  PyRod - Tracing water molecules in molecular dynamics simulations
  ☆47Updated 4 years ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆105Updated 11 months ago
• ldomic / lintools
  Python script that creates 2D protein-ligand interaction images
  ☆14Updated 7 years ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆61Updated 7 months ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆64Updated 4 years ago
• prcurran / hotspots
  A knowledge-based method for determining small molecule binding "hotspots".
  ☆37Updated last year
• RUBi-ZA / MODE-TASK
  PCA and normal mode analysis of proteins
  ☆18Updated last year
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆57Updated this week
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆60Updated 2 weeks ago
• n-szulc / fingeRNAt
  Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.
  ☆28Updated 3 years ago
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆45Updated last year
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆43Updated 5 years ago
• Becksteinlab / propkatraj
  pKa estimates for proteins using an ensemble approach
  ☆29Updated last month
• pstansfeld / MemProtMD
  ☆45Updated 3 months ago
• MobleyLab / Training
  Lab policies, training, style guides, etc.
  ☆34Updated last year
• npschafer / openawsem
  An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
  ☆36Updated 3 months ago
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆19Updated 5 years ago
• drorlab / GPCR-mining
  Functions to scrape GPCR data from the web.
  ☆16Updated 3 years ago
• mms-fcul / PypKa
  A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
  ☆60Updated last year
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆33Updated 2 years ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆87Updated 4 years ago
• ELELAB / pyinteraph2
  development repository for PyInteraph2
  ☆23Updated 5 months ago