Alternatives and similar repositories for feasst

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

• GOMC-WSU / GOMC
  GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
  ☆85Updated last week
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated 3 months ago
• usnistgov / pyPRISM
  A framework for conducting polymer reference interaction site model (PRISM) calculations
  ☆45Updated 4 years ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆75Updated 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…
  ☆46Updated 2 years ago
• berquist / chargemol
  2017-09-26 Linux source.
  ☆20Updated 3 years ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆28Updated last year
• votca / csg
  Coarse-graining potentials from atomistic references made easy
  ☆26Updated 4 years ago
• 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 4 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
• selimsami / qforce
  ☆61Updated 5 months ago
• jkitchin / python-reaxff
  python wrappers for generating training files for the ReaxFF code
  ☆24Updated 11 years ago
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆39Updated this week
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆33Updated last year
• Allen-Tildesley / data
  Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…
  ☆15Updated 8 years ago
• funkymunkycool / Cube-Toolz
  Python tool to manipulate Gaussian cube files
  ☆49Updated 2 years ago
• theochem / denspart
  Atoms-in-molecules density partitioning schemes based on stockholder recipe
  ☆22Updated this week
• BlauGroup / HiPRGen
  ☆27Updated last year
• openkim / kliff
  KIM-based Learning-Integrated Fitting Framework for interatomic potentials.
  ☆39Updated last week
• cmelab / flowerMD
  Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.
  ☆22Updated this week
• semodi / neuralxc
  Implementation of a machine learned density functional
  ☆35Updated last year
• molmod / molmod
  MolMod is a collection of molecular modelling tools for python.
  ☆60Updated last year
• BlauGroup / RNMC
  ☆20Updated last year
• molmod / yaff
  Yaff is yet another force-field code
  ☆37Updated 3 years ago
• NWChemEx / NWChemEx
  A top-level, user-focused, conglomerate repo for the NWChemEx project.
  ☆17Updated 3 weeks ago
• loriab / qcdb
  Databases and Interoperability in Quantum Chemistry
  ☆13Updated 7 years ago
• theochem / grid
  Python library for numerical integration, interpolation, and differentiation on (molecular) grids.
  ☆69Updated this week
• HouGroup / mdgo
  A codebase for classical molecular dynamics (MD) simulation setup and results analysis.
  ☆26Updated last year
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆50Updated 2 months ago