Alternatives and similar repositories for LJ-Argon

Users that are interested in LJ-Argon are comparing it to the libraries listed below

• openpathsampling / openpathsampling
  An open source Python framework for transition interface and path sampling calculations.
  ☆112Updated 2 months ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆88Updated 2 years ago
• shirtsgroup / checkensemble
  This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …
  ☆14Updated 7 years ago
• dmorse / simpatico
  Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
  ☆34Updated 3 years ago
• leeping / geomeTRIC
  Geometry optimization code that includes the TRIC coordinate system
  ☆182Updated last week
• bio-phys / pydiffusion
  Analyse Rotational Diffusion Tensor from MD Simulations
  ☆21Updated 9 months ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated 11 months ago
• leeping / forcebalance
  Systematic force field optimization.
  ☆151Updated 8 months ago
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆115Updated 6 years ago
• jhrmnn / pyberny
  Molecular structure optimizer
  ☆124Updated 2 years ago
• nutjunkie / IQmol
  IQmol is an open source molecular editor and visualization package
  ☆106Updated 2 years ago
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆133Updated this week
• robashaw / geomConvert
  A python utility to convert between XYZ and Z-matrix geometries.
  ☆41Updated 3 years ago
• choderalab / torsionfit
  Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.
  ☆21Updated 3 years ago
• openmm / openmmexampleplugin
  An example of how to write a plugin for OpenMM
  ☆31Updated last year
• basnijholt / molecular-dynamics-Python
  2016: Molecular dynamics simulation of an Argon gas
  ☆14Updated 9 years ago
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆203Updated last week
• degiacom / assemble
  a tool for creating Molecular Dynamics-ready models of polymeric systems
  ☆22Updated 6 years ago
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆179Updated last month
• choderalab / pymbar
  Python implementation of the multistate Bennett acceptance ratio (MBAR)
  ☆264Updated this week
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆83Updated 3 weeks ago
• theochem / iodata
  Python library for reading, writing, and converting computational chemistry file formats and generating input files.
  ☆138Updated 2 months ago
• vitroid / GenIce
  A swiss army knife to generate proton-disordered ice structures.
  ☆77Updated last month
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆98Updated 6 months ago
• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆98Updated 4 years ago
• eljost / pysisyphus
  Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
  ☆116Updated 2 weeks ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆82Updated this week
• markovmodel / pyemma_tutorials
  How to analyze molecular dynamics data with PyEMMA
  ☆76Updated 6 years ago
• lab-cosmo / i-pi-dev_archive
  Development version of i-PI
  ☆21Updated 6 years ago
• qcscine / sparrow
  ☆85Updated 11 months ago