Paket: python3-amp (0.6.1-1 und andere)

[ Quellcode: 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.

Andere Pakete mit Bezug zu python3-amp

• dep: libc6 (>= 2.29)

  GNU-C-Bibliothek: Laufzeitbibliotheken
  auch ein virtuelles Paket, bereitgestellt durch libc6-udeb

• dep: libgcc-s1 (>= 4.0)

  GCC Support-Bibliothek

• dep: libgfortran5 (>= 10)

  Laufzeitbibliothek für GNU-Fortran-Anwendungen

• dep: python3

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

  dep: python3 (<< 3.13)

  dep: python3 (>= 3.11~)

• dep: python3-ase (>= 3.14.0~)

  Atomic Simulation Environment (Python 3)

• dep: python3-matplotlib

  Python-System ähnlich Matlab zur Ausgabe von Zeichnungen

• dep: python3-numpy (>= 1:1.22.0)

  Fast array facility to the Python language (Python 3)

• dep: python3-numpy-abi9

  virtuelles Paket, bereitgestellt durch python3-numpy

• dep: python3-pexpect

  Python-3-Modul für die Automatisierung interaktiver Anwendungen

• dep: python3-scipy

  Wissenschaftliche Werkzeuge für Python 3

• dep: python3-zmq

  Python3-Anbindungen für die 0MQ-Bibliothek

python3-amp herunterladen

Download für alle verfügbaren Architekturen

Architektur	Version	Paketgröße	Größe (installiert)	Dateien
armel	0.6.1-1+b9	238,7 kB	2.801,0 kB	[Liste der Dateien]