jalemkul / gmx_tutorials_livecoms

Related projects ⓘ

Alternatives and complementary repositories for gmx_tutorials_livecoms

• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆98Updated this week
• deGrootLab / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆135Updated 3 months ago
• ricalessandri / Martini3-small-molecules
  Martini 3 small-molecule database
  ☆54Updated 3 months ago
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆140Updated this week
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆122Updated 2 weeks ago
• Gallicchio-Lab / AToM-OpenMM
  OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
  ☆120Updated 2 weeks ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆60Updated last year
• alchemistry / alchemlyb
  the simple alchemistry library
  ☆199Updated last week
• molmod / openmm-tutorial-msbs
  OpenMM tutorial for the MSBS course
  ☆147Updated this week
• jalemkul / gridmat-md
  GridMAT-MD membrane analysis program
  ☆23Updated 6 years ago
• alanwilter / acpype
  OFFICIAL: AnteChamber PYthon Parser interfacE
  ☆206Updated 2 months ago
• CharlesHahn / DuIvyTools
  A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
  ☆62Updated 3 months ago
• TinkerTools / tinker
  Tinker: Software Tools for Molecular Design
  ☆130Updated last week
• fhh2626 / BFEE2
  binding free energy estimator 2
  ☆108Updated last week
• maccallumlab / martini_openmm
  ☆49Updated last year
• paulrobustelli / CHEM101.6
  ☆123Updated 7 months ago
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆128Updated last month
• Electrostatics / apbs
  Software for biomolecular electrostatics and solvation calculations
  ☆95Updated 2 months ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆118Updated this week
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆47Updated 7 months ago
• Jerkwin / gmxtools
  tools for GROMACS
  ☆98Updated last month
• maccallumlab / meld
  Modeling with limited data
  ☆54Updated last week
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆59Updated last week
• Electrostatics / pdb2pqr
  PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
  ☆129Updated this week
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆109Updated 5 years ago
• callumjd / AMBER-Membrane_protein_tutorial
  Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen
  ☆53Updated last year
• CCPBioSim / fesetup
  A tool for setting up free energy simulations.
  ☆34Updated 2 years ago
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆170Updated last month
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆211Updated this week
• choderalab / yank
  An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
  ☆181Updated last year