Paquet : python3-amp (0.6-3)
Liens pour python3-amp
Ressources Trisquel :
Télécharger le paquet source amp :
Responsable :
Original Maintainers:
- Debian Science Maintainers (Archive du courrier électronique)
- Muammar El Khatib
Ressources externes :
- Page d'accueil [bitbucket.org]
Paquets similaires :
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.
Autres paquets associés à python3-amp
|
|
|
-
- dep: libc6 (>= 2.14) [amd64]
- GNU C Library: Shared libraries
un paquet virtuel est également fourni par 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
- paquet virtuel fourni par python3-numpy
-
- dep: python3-scipy
- scientific tools for Python 3
Télécharger python3-amp
Architecture | Taille du paquet | Espace occupé une fois installé | Fichiers |
---|---|---|---|
amd64 | 200,4 ko | 1021 ko | [liste des fichiers] |
i386 | 172,4 ko | 965 ko | [liste des fichiers] |