Alternatives and similar repositories for checkensemble

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

• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆90Updated 2 years ago
• leeping / forcebalance
  Systematic force field optimization.
  ☆157Updated last year
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆57Updated last month
• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆116Updated last month
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆140Updated last week
• michellab / Sire
  Sire Molecular Simulations Framework
  ☆96Updated 2 years ago
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆88Updated this week
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆94Updated 2 weeks ago
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆54Updated 2 months ago
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆86Updated 2 weeks ago
• nglviewer / mdsrv
  MD trajectory server
  ☆35Updated 2 years ago
• osmart / hole2
  Source code for HOLE program.
  ☆37Updated last year
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆88Updated this week
• mosdef-hub / gmso
  Flexible storage of chemical topology for molecular simulation
  ☆68Updated this week
• arose / simpletraj
  Simple library for reading trajectory coordinates
  ☆18Updated 9 years ago
• openforcefield / openff-evaluator
  A physical property evaluation toolkit from the Open Forcefield Consortium.
  ☆58Updated this week
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆208Updated last week
• selimsami / qforce
  ☆62Updated 7 months ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆127Updated 3 months ago
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆130Updated 3 years ago
• dmorse / simpatico
  Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
  ☆35Updated 3 years ago
• openforcefield / smarty
  Chemical perception tree automated exploration tool.
  ☆19Updated 7 years ago
• choderalab / torsionfit
  Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.
  ☆21Updated 4 years ago
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆37Updated 2 years ago
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated 3 months ago
• m3g / Packmol.jl
  The future of Packmol
  ☆40Updated 2 weeks ago
• jag1g13 / pycgtool
  Generate coarse-grained molecular dynamics models from atomistic trajectories.
  ☆65Updated 2 months ago
• molmod / molmod
  MolMod is a collection of molecular modelling tools for python.
  ☆60Updated last year
• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆85Updated 2 months ago