• SymPy

  • Referenced in 125 articles [sw00940]
  • SymPy is a Python library for symbolic mathematics...
  • Gromacs

  • Referenced in 117 articles [sw04128]
  • GROMACS is a versatile package to perform molecular...
  • EinSum

  • Referenced in 7 articles [sw04212]
  • Supporting tensor symmetries in EinSum. Exploiting symmetries are...
  • Torch

  • Referenced in 36 articles [sw05407]
  • Torch is a machine learning library written in...
  • GAUSSIAN

  • Referenced in 185 articles [sw06118]
  • Gaussian is an electronic structure program, used by...
  • MOLPRO

  • Referenced in 22 articles [sw06125]
  • MOLPRO is a complete system of ab initio...
  • SciPy

  • Referenced in 556 articles [sw06293]
  • SciPy (pronounced ”Sigh Pie”) is open-source software...
  • NumPy

  • Referenced in 395 articles [sw06294]
  • NumPy is the fundamental package for scientific computing...
  • MKL

  • Referenced in 129 articles [sw06975]
  • Intel® Math Kernel Library (Intel® MKL) 11.0 includes...
  • PHREEQC

  • Referenced in 21 articles [sw07853]
  • Description of Input and Examples for PHREEQC Version...
  • Scikit

  • Referenced in 392 articles [sw08058]
  • Scikit-learn: machine learning in python. Scikit-learn...
  • Python

  • Referenced in 1582 articles [sw14460]
  • Python is a widely used high-level, general...
  • h5py

  • Referenced in 8 articles [sw14817]
  • h5py – HDF5 for python. The h5py package is...
  • HDF5

  • Referenced in 48 articles [sw14818]
  • HDF5 is a data model, library, and file...
  • Jmol

  • Referenced in 13 articles [sw15016]
  • Jmol: an open-source Java viewer for chemical...
  • Cantera

  • Referenced in 24 articles [sw15111]
  • Cantera: An Object-Oriented Software Toolkit for Chemical...
  • TensorFlow

  • Referenced in 363 articles [sw15170]
  • TensorFlow™ is an open source software library for...
  • CP2K

  • Referenced in 8 articles [sw15391]
  • CP2K is a quantum chemistry and solid state...