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[ 原始碼: amp  ]

套件: python3-amp (0.6.1-1build2)

python3-amp 的相關超連結

python3-amp

Trisquel 的資源:

下載原始碼套件 amp

維護者:

Original Maintainers:

  • Debian Science Maintainers (郵件存檔)
  • Muammar El Khatib

外部的資源:

相似套件:

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.

其他與 python3-amp 有關的套件

  • 依賴
  • 推薦
  • 建議
  • dep: libc6 (>= 2.29)
    GNU C Library: Shared libraries
    同時作為一個虛擬套件由這些套件提供: libc6-udeb
  • dep: libgcc-s1 (>= 4.0)
    GCC support library
  • dep: libgfortran5 (>= 8)
    Runtime library for GNU Fortran applications
  • dep: python3
    interactive high-level object-oriented language (default python3 version)
    dep: python3 (<< 3.9)
    dep: python3 (>= 3.8~)
  • 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
    本虛擬套件由這些套件提供: 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)

下載 python3-amp

下載可用於所有硬體架構的
硬體架構 套件大小 安裝後大小 檔案
amd64 228.2 kB1458 kB [文件列表]