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Paketti: python3-amp (0.6-3)

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python3-amp

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Atomistic Machine-learning Package (python 3)

Amp is an open-source package designed to easily bring machine-learning to atomistic calculations. This project is being developed at Brown University in the School of Engineering, primarily by Andrew Peterson and Alireza Khorshidi, and is released under the GNU General Public License. Amp allows for the modular representation of the potential energy surface, allowing the user to specify or create descriptor and regression methods.

Amp is designed to integrate closely with the Atomic Simulation Environment (ASE). As such, the interface is in pure python, although several compute-heavy parts of the underlying code also have fortran versions to accelerate the calculations. The close integration with ASE means that any calculator that works with ASE ─ including EMT, GPAW, DACAPO, VASP, NWChem, and Gaussian ─ can easily be used as the parent method.

This package provides the python 3 modules.

Muut pakettiin python3-amp liittyvät paketit

  • depends
  • recommends
  • suggests
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    myös näennäispaketti, jonka toteuttaa libc6-udeb
    dep: libc6 (>= 2.4) [i386]
  • dep: libgcc1 (>= 1:4.0)
    GCC support library
  • dep: libgfortran4 (>= 7)
    Runtime library for GNU Fortran applications
  • dep: python3
    interactive high-level object-oriented language (default python3 version)
    dep: python3 (<< 3.7)
    dep: python3 (>= 3.6~)
  • dep: python3-ase (>= 3.14.0~)
    Atomic Simulation Environment (Python 3)
  • dep: python3-matplotlib
    Python based plotting system in a style similar to Matlab (Python 3)
  • dep: python3-numpy (>= 1:1.13.1)
    Fast array facility to the Python 3 language
  • dep: python3-numpy-abi9
    näennäispaketti, jonka toteuttaa python3-numpy
  • dep: python3-scipy
    scientific tools for Python 3

Imuroi python3-amp

Imurointi kaikille saataville arkkitehtuureille
Arkkitehtuuri Paketin koko Koko asennettuna Tiedostot
amd64 200.4 kt1021 kt [tiedostoluettelo]
i386 172.4 kt965 kt [tiedostoluettelo]