Pakket: python3-amp (0.6.1-1 en anderen) [debports]
Verwijzigingen voor python3-amp
Debian bronnen:
Het bronpakket downloaden:
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Externe bronnen:
- Homepage [bitbucket.org]
Vergelijkbare pakketten:
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 aan python3-amp gerelateerde pakketten
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- dep: libc6 (>= 2.27)
- GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6-udeb
-
- dep: libgcc-s1 (>= 4.0)
- GCC support bibliotheek
-
- dep: libgfortran5 (>= 10)
- Runtime library for GNU Fortran applications
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
- dep: python3 (<< 3.12)
- dep: python3 (>= 3.11~)
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- dep: python3-ase (>= 3.14.0~)
- Atomic Simulation Environment (Python 3)
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- dep: python3-matplotlib
- Python based plotting system in a style similar to Matlab (Python 3)
-
- dep: python3-numpy (>= 1:1.22.0)
- Fast array facility to the Python language (Python 3)
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- dep: python3-numpy-abi9
- virtueel pakket geboden door python3-numpy
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- dep: python3-pexpect
- Python 3 module for automating interactive applications
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- dep: python3-scipy
- scientific tools for Python 3
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- dep: python3-zmq
- Python3 bindings for 0MQ library