• Mathematica

  • Referenced in 6166 articles [sw00554]
  • Almost any workflow involves computing results, and that...
  • Wannier90

  • Referenced in 13 articles [sw01010]
  • wannier90: A Tool for Obtaining Maximally-Localised Wannier...
  • AMBER

  • Referenced in 56 articles [sw01333]
  • AmberTools is a set of programs for biomolecular...
  • GULP

  • Referenced in 20 articles [sw01459]
  • GULP is a program for performing a variety...
  • Gromacs

  • Referenced in 121 articles [sw04128]
  • GROMACS is a versatile package to perform molecular...
  • mpi4py

  • Referenced in 52 articles [sw04608]
  • MPI for Python (mpi4py) provides bindings of the...
  • WIEN2k

  • Referenced in 43 articles [sw04975]
  • The program package WIEN2k allows to perform electronic...
  • JSXGraph

  • Referenced in 8 articles [sw05852]
  • JSXGraph is a cross-browser library for interactive...
  • LAMMPS

  • Referenced in 60 articles [sw05952]
  • LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is...
  • CHARMM

  • Referenced in 119 articles [sw05953]
  • CHARMM (Chemistry at HARvard Macromolecular Mechanics). CHARMM models...
  • ABINIT

  • Referenced in 46 articles [sw06111]
  • ABINIT is a package whose main program allows...
  • NWChem

  • Referenced in 39 articles [sw06127]
  • NWChem computes the properties of molecular and periodic...
  • SciPy

  • Referenced in 633 articles [sw06293]
  • SciPy (pronounced ”Sigh Pie”) is open-source software...
  • NumPy

  • Referenced in 456 articles [sw06294]
  • NumPy is the fundamental package for scientific computing...
  • potfit

  • Referenced in 1 article [sw06332]
  • Potfit: effective potentials from ab initio data. We...
  • SPEA2

  • Referenced in 464 articles [sw06686]
  • SPEA2 - The Strength Pareto Evolutionary Algorithm 2: SPEA2...
  • Scikit

  • Referenced in 452 articles [sw08058]
  • Scikit-learn: machine learning in python. Scikit-learn...