Alternatives and similar repositories for velvet

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

• t-young31 / opt-rs
  molecular mechanics optimisation
  ☆17Updated 2 years ago
• glennklockwood / allen-tildesley
  Sample code from Allen & Tildesley's Computer Simulation of Liquids, 1st Ed. See https://github.com/Allen-Tildesley/examples for moderni…
  ☆18Updated 8 years ago
• wesbarnett / libgmxcpp
  C++ toolkit for use in reading in and analyzing Gromacs files
  ☆12Updated 5 years ago
• Mjolnir-MD / Mjolnir
  general purpose coarse-grained molecular dynamics simulation package
  ☆35Updated 2 years ago
• kratman / LICHEM_QMMM
  Symbiotic computational chemistry; Public repository.
  ☆20Updated 7 years ago
• dftworks / dftworks
  ☆61Updated 2 months ago
• lumol-org / lumol
  Universal extensible molecular simulation engine
  ☆207Updated last year
• Tsjerk / Backward
  Mapping from Coarse Grain Models to Atomistic (and Back)
  ☆19Updated 2 years ago
• MolSSI-MDI / MDI_Library
  A library that enables code interoperability via the MolSSI Driver Interface.
  ☆34Updated last month
• yesint / pteros
  Modern and fast molecular analysis and modeling library for C++ and Python
  ☆35Updated 8 months ago
• mlund / coulombgalore
  C++ Library for Electrostatics
  ☆20Updated 3 months ago
• chemfiles / chemfiles
  Library for reading and writing chemistry files
  ☆186Updated 2 months ago
• molmod / zeobuilder
  Zeobuilder is an extensible GUI-toolkit for molecular model construction.
  ☆13Updated 6 years ago
• digital-chemistry-laboratory / coulson
  Python code for Hückel and Pariser-Parr-Pople molecular orbital theory
  ☆15Updated 2 years ago
• HITS-MBM / gromacs-fda
  Force Distribution Analysis (FDA) for GROMACS
  ☆35Updated last year
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆90Updated last week
• pdebuyl-lab / tidynamics
  A tiny package to compute the dynamics of stochastic and molecular simulations
  ☆31Updated 2 years ago
• digital-chemistry-laboratory / libdlfind
  libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
  ☆21Updated last year
• mlund / faunus
  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
  ☆73Updated 3 months ago
• genesis-release-r-ccs / genesis
  Source, test set, and document for Molecular Dynamics software, GENESIS.
  ☆39Updated last month
• OpenMD / OpenMD
  Molecular Dynamics in the Open
  ☆85Updated last month
• dmorse / simpatico
  Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids
  ☆35Updated 3 years ago
• mphowardlab / azplugins
  A HOOMD-blue component for soft matter simulations.
  ☆25Updated this week
• ReactionMechanismGenerator / ARC
  ARC - Automatic Rate Calculator
  ☆46Updated 2 weeks ago
• 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
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆40Updated 3 years ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆25Updated 4 months ago
• rapodaca / chemcore
  A cheminformatics toolkit for Rust.
  ☆77Updated 4 years ago
• Allen-Tildesley / corrections
  Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…
  ☆32Updated 2 years ago
• grimme-lab / numsa
  Solvent accessible surface area calculation
  ☆20Updated 9 months ago