Alternatives and similar repositories for amep

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

• cmelab / GIXStapose
  An interactive structure viewer alongside its simulated diffraction pattern
  ☆19Updated last week
• lammpstutorials / lammpstutorials-article
  A Set of Tutorials for the LAMMPS Simulation Package
  ☆35Updated 2 weeks ago
• elvissoares / PyDFTlj
  An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries
  ☆21Updated last year
• glotzerlab / hoomd-examples
  HOOMD-blue example scripts.
  ☆38Updated this week
• by256 / rdfpy
  A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
  ☆31Updated last year
• evenmn / lammps-bulk-benchmark
  Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS
  ☆15Updated 2 years ago
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆82Updated last year
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆37Updated this week
• VlachosGroup / pMuTT
  Python Multiscale Thermochemistry Toolbox (pMuTT)
  ☆47Updated 3 months ago
• palmergroup / hmcwithlammps
  ☆14Updated 6 years ago
• libAtoms / pymatnest
  Nested Sampling code
  ☆33Updated 4 months ago
• tjz21 / DFT_PIB_Code
  Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
  ☆77Updated 3 weeks ago
• Cascella-Group-UiO / HyMD
  Massively parallel hybrid particle-field molecular dynamics in Python.
  ☆29Updated last year
• cagrikymk / JAX-ReaxFF
  JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
  ☆69Updated last year
• cmelab / flowerMD
  Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.
  ☆22Updated this week
• MaginnGroup / Cassandra
  Cassandra is a Monte Carlo package to conduct atomistic simulations.
  ☆47Updated last year
• mphowardlab / gsd-vmd
  A VMD molfile plugin reader for HOOMD-blue GSD files.
  ☆20Updated 11 months ago
• simongravelle / DOS-VACF-LAMMPS
  Python script for calculating vibrational density of states (DOS) from LAMMPS dump file
  ☆19Updated last year
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆73Updated this week
• i-pi / pimd-mooc
  Interactive tutorials for the PIMD Massive Open Online Course
  ☆24Updated 2 years ago
• MathieuLeocmach / pyboo
  A Python package to compute bond orientational order parameters as defined by Steinhardt, Physical Review B (1983)
  ☆31Updated 7 years ago
• mosdef-hub / mbuild_tutorials
  A set of tutorials to introduce new users to mBuild
  ☆11Updated 4 years ago
• hendrikheinz / INTERFACE-force-field-and-surface-models
  A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)
  ☆16Updated last year
• zincware / MDSuite
  A post-processing engine for particle simulations
  ☆45Updated last month
• ML-Materials-Standards / ml-materials-checklist
  ☆34Updated last year
• marykcoe / cDFT_Package
  A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…
  ☆26Updated 3 years ago
• kevinshen56714 / emc-pypi
  Python interface for Enhanced Monte Carlo (EMC)
  ☆21Updated last week
• libAtoms / workflow
  python workflow toolkit
  ☆43Updated last month
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆28Updated 4 years ago
• henriasv / molecular-builder
  Builder for molecular systems
  ☆17Updated 6 months ago