• ASE

  • Referenced in 16 articles [sw30602]
  • working with atoms. The atomic simulation environment (ASE) is a software package written ... steering, and analyzing atomistic simulations. In ASE, tasks are fully scripted in Python. The powerful ... interface. On top of this calculator interface, ASE provides modules for performing many standard simulation...
  • IPSSIS

  • Referenced in 14 articles [sw07158]
  • illustrative application in the Athens Stock Exchange (ASE...
  • RAGE

  • Referenced in 3 articles [sw24031]
  • efficient and scalable classification of the ASes that comprise the Internet. Finally, we present RAGE...
  • JuLIP

  • Referenced in 1 article [sw41390]
  • design of JuLIP is heavily inspired by ASE. The main motivation for JuLIP is that ... while ASE is pure Python and hence relies on external software to efficiently evaluate interatomic ... just a few lines of code. ASE bindings compatible with JuLIP are provided by ASE.jl ... pyjulip which enable using JuLIP models from ASE...
  • ASR

  • Referenced in 1 article [sw38328]
  • functionality of the Atomic Simulation Environment (ASE) to interface with external simulation codes and attain ... adapted to other simulation codes with an ASE interface. Being independent objects with automatic data...
  • GPAW

  • Referenced in 1 article [sw06805]
  • method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid...
  • Polyphemus

  • Referenced in 1 article [sw13549]
  • HERMES visualizes Internet as a set of ASes and interconnections between them. POLYPHEMUS...
  • Hermes

  • Referenced in 1 article [sw13550]
  • HERMES visualizes Internet as a set of ASes and interconnections between them. POLYPHEMUS...
  • PyBerny

  • Referenced in 1 article [sw33442]
  • search. PyBerny is available in PySCF and ASE...
  • QUIP

  • Referenced in 1 article [sw33784]
  • LAMMPS, CP2K and also the python framework ASE. Various hybrid combinations are also supported...
  • Matlab

  • Referenced in 13488 articles [sw00558]
  • MATLAB® is a high-level language and interactive...
  • LBFGS-B

  • Referenced in 414 articles [sw05142]
  • Algorithm 778: L-BFGS-B Fortran subroutines for...
  • LAMMPS

  • Referenced in 72 articles [sw05952]
  • LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is...
  • NumPy

  • Referenced in 550 articles [sw06294]
  • NumPy is the fundamental package for scientific computing...
  • Scikit

  • Referenced in 603 articles [sw08058]
  • Scikit-learn: machine learning in python. Scikit-learn...
  • 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...