Mjolnir-MD / Mjolnir

Related projects ⓘ

Alternatives and complementary repositories for Mjolnir

• MasatakaYm / Molecular-Simulation
  分子シミュレーションの理論や関連するトピックをまとめたノート
  ☆20Updated 8 months ago
• genesis-release-r-ccs / genesis
  Source, test set, and document for Molecular Dynamics software, GENESIS.
  ☆30Updated 3 months ago
• matsunagalab / MDToolbox.jl
  MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules
  ☆20Updated 2 months ago
• cgmartini / martinize.py
  Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.
  ☆32Updated 2 years ago
• maccallumlab / martini_openmm
  ☆49Updated last year
• depablogroup / LAMMPS-3SPN2
  Coarse-grained molecular model of DNA (LAMMPS plugin)
  ☆16Updated 2 years ago
• openmm / openmmexampleplugin
  An example of how to write a plugin for OpenMM
  ☆30Updated 9 months ago
• bestlab / force_fields
  Force fields in various formats
  ☆26Updated 6 months ago
• bowman-lab / enspara
  Modeling molecular ensembles with scalable data structures and parallel computing
  ☆33Updated 2 months ago
• ToruNiina / libasd
  C++11/Python3 library to read/write High Speed AFM data file
  ☆13Updated last year
• openmm / openmm-plumed
  OpenMM plugin to interface with PLUMED
  ☆59Updated last week
• coarse-graining / cgnet
  learning coarse-grained force fields
  ☆57Updated 2 years ago
• CCPBioSim / qmmm-workshop
  Workshop teaching QMMM using Amber
  ☆57Updated 2 years ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆72Updated 10 months ago
• jhenin / Methods-for-enhanced-sampling-and-free-energy-calculations
  Enhanced sampling methods for molecular dynamics simulations
  ☆36Updated last year
• BrooksResearchGroup-UM / FastMBAR
  A fast solver for large scale MBAR/UWHAM equations
  ☆37Updated 2 months ago
• MobleyLab / benchmarksets
  Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
  ☆42Updated 3 years ago
• Psivant / stormm
  ☆39Updated 2 months ago
• jhenin / qwrap
  Fast PBC wrapping and unwrapping for VMD
  ☆23Updated 2 weeks ago
• rinikerlab / EquivariantMultipoleGNN
  Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.
  ☆28Updated 2 years ago
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆47Updated 7 months ago
• andysim / helpme
  helPME: an efficient library for particle mesh Ewald
  ☆27Updated 2 years ago
• npschafer / openawsem
  An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM
  ☆35Updated 3 months ago
• genesis-release-r-ccs / genesis-2.0
  This is an old archived repository that we keep for our records. Please use recent GENESIS repository and do not use this one.
  ☆12Updated 2 years ago
• jthorton / de-forcefields
  Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules
  ☆21Updated 3 months ago
• andrrizzi / tfep-revisited-2021
  Source code and input files associated to the paper "Targeted free energy perturbation revisited: Accurate free energies from mapped refe…
  ☆13Updated 3 years ago
• michellab / Sire
  Sire Molecular Simulations Framework
  ☆95Updated last year
• alchemistry / alchemical-best-practices
  Best practice document for alchemical free energy calculations going to livecoms journal
  ☆63Updated last month
• intbio / gromacs_ff
  Trusted force field files for gromacs
  ☆40Updated 3 weeks ago
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆106Updated this week