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
  ☆16Updated 3 years ago
• mphowardlab / gsd-vmd
  A VMD molfile plugin reader for HOOMD-blue GSD files.
  ☆20Updated last year
• rsdefever / GAFF-foyer
  ☆11Updated 4 years ago
• glotzerlab / gsd
  Read and write GSD files for use with HOOMD-blue.
  ☆27Updated last week
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆33Updated last year
• MDAnalysis / pytng
  Python bindings for TNG file format
  ☆13Updated 2 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 …
  ☆35Updated 3 weeks ago
• choderalab / automatic-equilibration-detection
  Automatic detection of equilibrated regions of molecular simulations
  ☆17Updated 9 years ago
• openkim / kimpy
  Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.
  ☆16Updated 3 weeks ago
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆89Updated 2 years ago
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated 2 months ago
• mosdef-hub / msibi
  A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)
  ☆17Updated 2 weeks ago
• MaginnGroup / Cassandra
  Cassandra is a Monte Carlo package to conduct atomistic simulations.
  ☆48Updated last month
• cmelab / GIXStapose
  An interactive structure viewer alongside its simulated diffraction pattern
  ☆19Updated 2 weeks ago
• materialsproject / jobflow
  jobflow is a library for writing computational workflows.
  ☆116Updated this week
• chrisjsewell / ipymd
  Analysis of Molecular Dynamics output in the IPython Notebook
  ☆10Updated 8 years ago
• rsdefever / GenStrIde
  A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …
  ☆17Updated 5 years ago
• psi4 / gau2grid
  Fast computation of a gaussian and its derivative on a grid.
  ☆31Updated 3 months ago
• SCM-NV / qmflows
  This library tackles the construction and efficient execution of computational chemistry workflows
  ☆52Updated last year
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆100Updated 10 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 8 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• lab-cosmo / librascal
  A scalable and versatile library to generate representations for atomic-scale learning
  ☆83Updated last year
• 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
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆205Updated this week
• glotzerlab / hoomd-examples
  HOOMD-blue example scripts.
  ☆38Updated this week
• libmbd / libmbd
  Many-body dispersion library
  ☆57Updated last month
• mphowardlab / azplugins
  A HOOMD-blue component for soft matter simulations.
  ☆25Updated this week
• glotzerlab / signac-dashboard
  Rapidly visualize signac projects through a customizable dashboard interface.
  ☆16Updated last week
• glotzerlab / signac-flow
  Workflow management for signac-managed data spaces.
  ☆48Updated 4 months ago