Alternatives and similar repositories for ele:

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

• mosdef-hub / mosdef-workflows
  Sample molecular simulation workflows using a MoSDeF and community tools
  ☆14Updated 2 years ago
• mphowardlab / gsd-vmd
  A VMD molfile plugin reader for HOOMD-blue GSD files.
  ☆15Updated 4 months ago
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆31Updated 7 months ago
• glotzerlab / gsd
  Read and write GSD files for use with HOOMD-blue.
  ☆25Updated 3 weeks ago
• rsdefever / GenStrIde
  A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …
  ☆17Updated 4 years ago
• mosdef-hub / msibi
  A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)
  ☆13Updated 7 months ago
• mosdef-hub / mosdef_tutorials
  A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
  ☆26Updated 11 months ago
• openkim / kim-api
  The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …
  ☆32Updated last week
• glotzerlab / signac-examples
  Examples for the signac framework.
  ☆15Updated last month
• choderalab / automatic-equilibration-detection
  Automatic detection of equilibrated regions of molecular simulations
  ☆17Updated 8 years ago
• MaginnGroup / Cassandra
  Cassandra is a Monte Carlo package to conduct atomistic simulations.
  ☆43Updated 10 months ago
• mosdef-hub / mbuild_tutorials
  A set of tutorials to introduce new users to mBuild
  ☆10Updated 3 years ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆87Updated 2 years ago
• leelasd / LigParGen_2.3
  LigParGen python package version 2.3 (beta)
  ☆13Updated 4 months ago
• chrisjsewell / ipymd
  Analysis of Molecular Dynamics output in the IPython Notebook
  ☆10Updated 8 years ago
• MDAnalysis / pytng
  Python bindings for TNG file format
  ☆13Updated 4 months ago
• glotzerlab / hoomd-examples
  HOOMD-blue example scripts.
  ☆35Updated this week
• cmelab / GIXStapose
  An interactive structure viewer alongside its simulated diffraction pattern
  ☆18Updated 3 weeks ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆56Updated 2 months ago
• openforcefield / openff-interchange
  A project (and object) for storing, manipulating, and converting molecular mechanics data.
  ☆73Updated this week
• GOMC-WSU / MoSDeF-GOMC
  MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC
  ☆15Updated 3 weeks ago
• SCM-NV / qmflows
  This library tackles the construction and efficient execution of computational chemistry workflows
  ☆47Updated last year
• glotzerlab / signac-dashboard
  Rapidly visualize signac projects through a customizable dashboard interface.
  ☆16Updated 3 weeks ago
• openkim / kimpy
  Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.
  ☆16Updated this week
• mphowardlab / azplugins
  A HOOMD-blue component for soft matter simulations.
  ☆22Updated 2 months ago
• TApplencourt / EMSL_Basis_Set_Exchange_Local
  Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.
  ☆16Updated 7 years ago
• MaginnGroup / mosdef_cassandra
  MoSDeF compatible wrapper for Cassandra Monte Carlo code
  ☆12Updated 4 months ago
• bjmorgan / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆65Updated 2 weeks ago
• libmbd / libmbd
  Many-body dispersion library
  ☆54Updated 5 months ago
• cmelab / flowerMD
  Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.
  ☆15Updated last week