Alternatives and similar repositories for EDMD

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

• MathieuLeocmach / pyboo
  A Python package to compute bond orientational order parameters as defined by Steinhardt, Physical Review B (1983)
  ☆31Updated 7 years ago
• jorisparet / partycls
  Unsupervised learning of structure in systems of interacting particles.
  ☆14Updated last year
• lammpstutorials / lammpstutorials-article
  A Set of Tutorials for the LAMMPS Simulation Package
  ☆31Updated last week
• cmelab / GIXStapose
  An interactive structure viewer alongside its simulated diffraction pattern
  ☆19Updated 2 weeks ago
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 3 years ago
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆87Updated 3 years ago
• bdhuddleston / encodeventor
  Files used in tutorials
  ☆46Updated 5 years ago
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆82Updated 4 months ago
• simongravelle / DOS-VACF-LAMMPS
  Python script for calculating vibrational density of states (DOS) from LAMMPS dump file
  ☆18Updated last year
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆68Updated last year
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆36Updated this week
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆42Updated 3 years ago
• NaveenKaliannan / StructureFactor
  A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)
  ☆22Updated 4 years ago
• mosdef-hub / mbuild_tutorials
  A set of tutorials to introduce new users to mBuild
  ☆11Updated 4 years ago
• glotzerlab / hoomd-examples
  HOOMD-blue example scripts.
  ☆37Updated last week
• rk-lindsey / chimes_calculator
  Tools to interface ChIMES with various external codes.
  ☆22Updated last month
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆88Updated this week
• simongravelle / atb2lammps
  Convert files from the ATB repository to LAMMPS format
  ☆22Updated last month
• cagrikymk / JAX-ReaxFF
  JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
  ☆69Updated last year
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated last month
• slitvinov / lammps-configs
  LAMMPS configuration files
  ☆13Updated 8 years ago
• nbwilding / DFT
  A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…
  ☆17Updated 8 months ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆136Updated 2 years ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆53Updated last week
• PhasesResearchLab / ESPEI
  Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
  ☆75Updated last month
• angeloziletti / ai4materials
  Deep learning for crystal-structure recognition and analysis of atomic structures
  ☆44Updated last year
• evenmn / lammps-bulk-benchmark
  Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS
  ☆15Updated 2 years ago
• libAtoms / GAP
  ☆44Updated 5 months ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆26Updated 2 years ago
• mholmboe / atom
  Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
  ☆21Updated 4 months ago