Alternatives and similar repositories for hoomd-blue:

Users that are interested in hoomd-blue are comparing it to the libraries listed below

• HECBioSim / Longbow
  Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…
  ☆17Updated 5 years ago
• usnistgov / feasst
  The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…
  ☆34Updated this week
• shirtsgroup / checkensemble
  This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …
  ☆14Updated 6 years ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆31Updated this week
• dmorse / simpatico
  Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
  ☆31Updated 2 years ago
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆49Updated 3 months ago
• loriab / qcdb
  Databases and Interoperability in Quantum Chemistry
  ☆13Updated 6 years ago
• wolverton-research-group / periodic-table-plotter
  Make periodic table map plots and pettifor-style trend plots.
  ☆27Updated 6 years ago
• matthewghgriffiths / fastoverlap
  Algorithms for fast alignment of structures in finite and periodic systems.
  ☆11Updated 2 years ago
• glotzerlab / signac-flow
  Workflow management for signac-managed data spaces.
  ☆48Updated 3 weeks ago
• pygbe / pygbe
  PyGBe: Python, GPUs and Boundary elements for electrostatics
  ☆66Updated last year
• votca / xtp
  GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…
  ☆29Updated 3 years ago
• joaander / hoomd-examples
  ☆15Updated last year
• espressopp / espressopp
  Main ESPResSo++ repository
  ☆44Updated last month
• ebylaska / PWDFT
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆15Updated last week
• usnistgov / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆22Updated 8 months ago
• jkitchin / dft-course
  Course repository for 06-640 - Molecular simulation
  ☆25Updated 12 years ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆40Updated last week
• mlund / faunus
  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
  ☆68Updated 2 months ago
• setten / GW100
  GW100 data repository and post processing tools
  ☆11Updated last year
• votca / csg
  Coarse-graining potentials from atomistic references made easy
  ☆26Updated 3 years ago
• LLNL / mgmol
  MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…
  ☆43Updated this week
• ECP-copa / CabanaMD
  Molecular dynamics proxy application based on Cabana
  ☆20Updated 3 months ago
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆30Updated 5 months ago
• sgsaenger / vipster
  Visualization and editing of periodic molecular structure files.
  ☆26Updated last month
• dftbplus / dftd3-lib
  Library version of S. Grimmes DFTD3 code.
  ☆11Updated 2 years ago
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆22Updated last year
• ben-albrecht / qcl
  Quantum Chemistry Laboratory package
  ☆19Updated 2 years ago
• digital-chemistry-laboratory / libdlfind
  libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
  ☆16Updated 9 months ago
• OpenMD / OpenMD
  Molecular Dynamics in the Open
  ☆74Updated last week