Paket: python3-amp (0.6.1-1 och andra)

[ Källkod: 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.

Andra paket besläktade med python3-amp

• dep: libc6 (>= 2.29)

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6-udeb

• dep: libgcc-s1 (>= 4.0)

  GCC stödbibliotek

• dep: libgfortran5 (>= 10)

  Runtime library for GNU Fortran applications

• dep: python3

  interactive high-level object-oriented language (default python3 version)

  dep: python3 (<< 3.10)

  dep: python3 (>= 3.9~)

• dep: python3-ase (>= 3.14.0~)

  Atomic Simulation Environment (Python 3)

• dep: python3-numpy (>= 1:1.16.0~rc1)

  Fast array facility to the Python 3 language

• dep: python3-numpy-abi9

  virtuellt paket som tillhandahålls av python3-numpy

• dep: python3-scipy

  scientific tools for Python 3

• rec: python3-matplotlib

  Python based plotting system in a style similar to Matlab (Python 3)

Hämta python3-amp

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Version	Paketstorlek	Installerad storlek	Filer
arm64	0.6.1-1+b4	221,1 kbyte	1.337,0 kbyte	[filförteckning]