• GAUSSIAN

  • Referenced in 181 articles [sw06118]
  • Gaussian is an electronic structure program, used by...
  • NumPy

  • Referenced in 373 articles [sw06294]
  • NumPy is the fundamental package for scientific computing...
  • Python

  • Referenced in 1486 articles [sw14460]
  • Python is a widely used high-level, general...
  • TensorFlow

  • Referenced in 327 articles [sw15170]
  • TensorFlow™ is an open source software library for...
  • CP2K

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

  • Referenced in 345 articles [sw22205]
  • Adam: A Method for Stochastic Optimization. We introduce...
  • SchNetPack

  • Referenced in 3 articles [sw25772]
  • SchNetPack: A Deep Learning Toolbox For Atomistic Systems...
  • PiNN

  • Referenced in 1 article [sw30601]
  • PiNN: A Python Library for Building Atomic Neural...
  • ASE

  • Referenced in 9 articles [sw30602]
  • The atomic simulation environment - a Python library for...
  • HDNNP

  • Referenced in 1 article [sw30603]
  • HDNNP training data set for H2O. High-dimensional...
  • OQMD

  • Referenced in 2 articles [sw30604]
  • The Open Quantum Materials Database (OQMD). The OQMD...