Balík: python3-amp (0.6.1-1)

[ Zdroj: amp  ]

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.

Ostatné balíky súvisiace s balíkom python3-amp

• dep: libc6 (>= 2.4)

  knižnica GNU C - zdieľané knižnice
  tiež virtuálny balík poskytovaný balíkom libc6-udeb

• dep: libgcc1 (>= 1:4.0)

  podporná knižnica GCC

• dep: libgfortran5 (>= 8)

  zdieľaná knižnica pre aplikácie GNU Fortran

• dep: python3

  interaktívny vysokoúrovňový objektovo orientovaný jazyk (predvolená verzia python3)

  dep: python3 (<< 3.8)

  dep: python3 (>= 3.6~)

• dep: python3-ase (>= 3.14.0~)

  Atomic Simulation Environment (Python 3)

• dep: python3-numpy (>= 1:1.14.3)

  schopnosti rýchlych polí do jazyka Python 3

• dep: python3-numpy-abi9

  virtuálny balík poskytovaný balíkom python3-numpy

• dep: python3-scipy

  vedecké nástroje pre Python 3

• rec: python3-matplotlib

  systém v Pythone na vykresľovanie v štýle podobnom Matlabu - Python 3

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Architektúra	Veľkosť balíka	Nainštalovaná veľkosť	Súbory
armhf	187.0 kB	2,053.0 kB	[zoznam súborov]