Alternatives and similar repositories for g_mmpbsa

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

• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆81Updated 3 years ago
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆59Updated 11 months ago
• ccsb-scripps / ADCP
  AutoDock CrankPep for peptide and disordered protein docking
  ☆51Updated 4 years ago
• getcontacts / getcontacts
  Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
  ☆129Updated 2 years ago
• maccallumlab / meld
  Modeling with limited data
  ☆59Updated 3 months ago
• ChemBioHTP / EnzyHTP
  EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
  ☆29Updated this week
• Electrostatics / apbs
  Software for biomolecular electrostatics and solvation calculations
  ☆111Updated last year
• clauswilke / PeptideBuilder
  A simple Python library to generate model peptides
  ☆88Updated 4 years ago
• Valdes-Tresanco-MS / AMDock
  (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
  ☆71Updated 2 years ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆65Updated 4 years ago
• rlabduke / MolProbity
  Protein and nucleic acid validation service
  ☆87Updated last year
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆82Updated 2 weeks ago
• POVME / POVME3
  A pocket volume analyzer for use in protein modeling.
  ☆56Updated 3 years ago
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆73Updated 6 months ago
• freesasa / freesasa-python
  FreeSASA Python Module
  ☆56Updated 2 months ago
• bioexcel / biobb
  Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…
  ☆61Updated 3 weeks ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• KULL-Centre / papers
  Material from papers from KULL centre
  ☆69Updated last year
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆35Updated 2 months ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆52Updated 3 months ago
• MiaoLab20 / gamd-openmm
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…
  ☆84Updated 2 months ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆108Updated last year
• paiardin / DockingPie
  A Consensus Docking Plugin for PyMOL
  ☆76Updated last year
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆43Updated 5 years ago
• MDplot / MDplot
  MDplot: Visualise Molecular Dynamics
  ☆30Updated 3 years ago
• tiwarylab / alphafold2rave
  ☆70Updated last year
• abeebyekeen / CHAPERONg
  CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
  ☆51Updated 2 months ago
• brianjimenez / pydock_tutorial
  PyDock Tutorial
  ☆33Updated 7 years ago
• mwojcikowski / smina
  ☆131Updated 6 years ago
• cmbi / hssp
  Create DSSP and HSSP files
  ☆93Updated last year