Alternatives and similar repositories for feasst

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

• votca / csg
  Coarse-graining potentials from atomistic references made easy
  ☆26Updated 4 years ago
• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆85Updated 3 weeks ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆73Updated 2 months ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 2 months ago
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆24Updated 3 months ago
• CPMD-code / CPMD
  The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…
  ☆45Updated 2 years ago
• usnistgov / pyPRISM
  A framework for conducting polymer reference interaction site model (PRISM) calculations
  ☆44Updated 4 years ago
• mlund / faunus
  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
  ☆72Updated 2 months ago
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 4 years ago
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Updated 4 months ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆27Updated last year
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆46Updated 2 weeks ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆50Updated last month
• atoms-ufrj / playmol
  Playmol is a(nother) software for building molecular models
  ☆19Updated 2 years ago
• openkim / kliff
  KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
  ☆39Updated last week
• dmorse / simpatico
  Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
  ☆34Updated 3 years ago
• palmergroup / hmcwithlammps
  ☆14Updated 6 years ago
• selimsami / qforce
  ☆61Updated 4 months ago
• matthewghgriffiths / fastoverlap
  Algorithms for fast alignment of structures in finite and periodic systems.
  ☆14Updated 3 years ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆90Updated 2 years ago
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆39Updated this week
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆69Updated last year
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆33Updated 3 months ago
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆36Updated 2 years ago
• votca / votca
  The source of the votca-csg and xtp packages
  ☆57Updated last week
• lanl / hippynn
  python library for atomistic machine learning
  ☆89Updated 3 weeks ago
• NWChemEx / NWChemEx
  A top-level, user-focused, conglomerate repo for the NWChemEx project.
  ☆15Updated last week
• CMMRLab / LUNAR
  ☆48Updated 3 weeks ago
• GOMC-WSU / py-MCMD
  This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles
  ☆45Updated last week