Alternatives and similar repositories for pyinteraph

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

• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆47Updated 11 months ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆58Updated this week
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆33Updated 4 years ago
• speleo3 / pymol-psico
  Pymol ScrIpt COllection (PSICO)
  ☆63Updated 4 months ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆45Updated 2 years ago
• xchem / fragalysis-package
  A repo for analysis of ensembles of protein-ligand complexes
  ☆30Updated 10 months ago
• ldomic / lintools
  Python script that creates 2D protein-ligand interaction images
  ☆14Updated 7 years ago
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆69Updated 6 months ago
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆46Updated last year
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆78Updated 3 months ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆66Updated 4 years ago
• pstansfeld / MemProtMD
  ☆45Updated 3 weeks ago
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆37Updated last month
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆44Updated 6 years ago
• maxscheurer / pycontact
  Analysis of non-covalent interactions in MD trajectories
  ☆65Updated 11 months ago
• npschafer / openawsem
  An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
  ☆37Updated 6 months ago
• Eigenstate / dabble
  Membrane protein builder and parameterizer
  ☆19Updated last year
• cabb99 / open3spn2
  An implementation of the 3SPN2 and 3SPN2.C coarse-grained DNA forcefields in OpenMM
  ☆19Updated 7 months ago
• BeckResearchLab / PyMolSAR
  A Python toolkit to compute molecular features and predict activities and properties of small molecules
  ☆21Updated 3 years ago
• samuelmurail / gromacs_py
  Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…
  ☆49Updated 3 years ago
• mmtsb / toolset
  MMTSB Tool Set
  ☆32Updated 2 weeks ago
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆89Updated 5 years ago
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆36Updated 3 years ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆62Updated 3 weeks ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆18Updated 6 years ago
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆84Updated 2 months ago
• wolberlab / pyrod
  PyRod - Tracing water molecules in molecular dynamics simulations
  ☆54Updated last month
• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆17Updated 5 years ago
• MobleyLab / Training
  Lab policies, training, style guides, etc.
  ☆34Updated this week
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆83Updated 3 years ago