• ASR

  • Referenced in 1 article [sw38328]
  • Atomic Simulation Recipes - a Python framework and library for automated workflows. The Atomic Simulation Recipes ... Recipe: a high-level Python script that performs a well defined simulation task robustly ... functionality of the Atomic Simulation Environment (ASE) to interface with external simulation codes and attain ... abstraction level. We provide a library of Recipes for common simulation tasks employing density functional...
  • Python

  • Referenced in 2049 articles [sw14460]
  • Python is a widely used high-level, general...
  • Spglib

  • Referenced in 14 articles [sw19549]
  • Spglib is a library for finding and handling...
  • PyPI

  • Referenced in 25 articles [sw20220]
  • PyPI - the Python Package Index. The Python Package...
  • pymatgen

  • Referenced in 15 articles [sw21647]
  • Python Materials Genomics (pymatgen): A robust, open-source...
  • GPAW

  • Referenced in 7 articles [sw22161]
  • GPAW - massively parallel electronic structure calculations with python...
  • AiiDA

  • Referenced in 6 articles [sw27272]
  • AiiDA is a flexible and scalable informatics’ infrastructure...
  • FireWorks

  • Referenced in 5 articles [sw28739]
  • FireWorks: a dynamic workflow system designed for high...
  • ASE

  • Referenced in 16 articles [sw30602]
  • The atomic simulation environment - a Python library for...
  • Atomate

  • Referenced in 3 articles [sw32763]
  • Atomate: A high-level interface to generate, execute...
  • AFLOW

  • Referenced in 5 articles [sw35507]
  • AFLOW: An automatic framework for high-throughput materials...
  • MyQueue

  • Referenced in 3 articles [sw35509]
  • MyQueue: Task and work ow scheduling system. MyQueue...
  • Phonopy

  • Referenced in 2 articles [sw35805]
  • Phonopy is an open source package for phonon...
  • C2DB

  • Referenced in 1 article [sw38329]
  • C2DB: The Computational 2D Materials Database: high-throughput...