Alternatives and similar repositories for molequeue:

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

• OpenChemistry / avogadroapp
  Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …
  ☆205Updated last week
• yesint / pteros
  Modern and fast molecular analysis and modeling library for C++ and Python
  ☆36Updated last week
• Avogadro / avogadro
  Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …
  ☆73Updated 3 years ago
• amd / openmm-hip
  ☆21Updated 11 months ago
• bryanherger / xdrawchem
  XDrawChem is a two-dimensional molecule drawing program.
  ☆39Updated 4 years ago
• ValeevGroup / mpqc
  The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…
  ☆69Updated last year
• kylelutz / chemkit
  A C++ library for molecular modelling, cheminformatics and molecular visualization.
  ☆54Updated 2 years ago
• 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
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆27Updated this week
• OpenMD / OpenMD
  Molecular Dynamics in the Open
  ☆76Updated last month
• nwchemgit / nwchem-wiki
  NWChem Documentation
  ☆37Updated this week
• TinkerTools / tinker9
  Tinker9: Next Generation of Tinker with GPU Support
  ☆50Updated last year
• OpenChemistry / avogenerators
  Python input file generators for Avogadro 2
  ☆13Updated 2 months ago
• OpenChemistry / chemicaljson
  Development of the Chemical JSON data representation
  ☆64Updated 9 months ago
• BALL-Project / ball
  The Biochemical Algorithms Library
  ☆73Updated 2 years ago
• cyllab / ccinput
  Computational Chemistry Input Generator
  ☆43Updated 4 months ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆124Updated last month
• QChASM / SEQCROW
  Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…
  ☆26Updated 2 weeks ago
• OpenChemistry / openchemistry
  Supermodule containing submodules and external project to build all components
  ☆84Updated 2 months ago
• twoXes / awesome-quantum-chemistry
  Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …
  ☆18Updated 2 years ago
• FriendsofECCE / ECCE
  The purpose of this repo is to allow continued development of the Extensible Computational Chemistry Environment (ECCE) which used to be …
  ☆9Updated 5 years ago
• RMeli / irc
  Transfrormation between Cartesian coordinates and redundant internal coordinates
  ☆22Updated 2 years ago
• OpenSourceMolecularModeling / OpenSourceMolecularModeling.github.io
  Catalog of Open Source Molecular Modeling Projects
  ☆98Updated last month
• mlund / faunus
  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
  ☆71Updated this week
• qcscine / molassembler
  Chemoinformatics toolkit with support for inorganic molecules
  ☆35Updated 7 months ago
• TinkerTools / tinker-hp
  Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs
  ☆86Updated 5 months ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆78Updated 6 months ago
• Amber-MD / cpptraj
  Biomolecular simulation trajectory/data analysis.
  ☆144Updated this week
• jeanwsr / awesome-qc-courses
  Quantum Chemistry course resources available on github and other platforms
  ☆49Updated last year