Install¶
Method 1¶
Install with pip
pip install featurebox
Note
If VC++ needed for windows, Please download the dependent packages from
Python Extension Packages and install offline.
Such as Spglib
. And try again, or reference to Method 2.
Method 2¶
Requirements Packages:
Dependence |
Name |
Version |
necessary |
sympy |
>=1.6 |
necessary |
deap |
>=1.3.1 |
necessary |
scikit-learn |
>=0.22.1 |
necessary |
torch |
>=1.5.0 |
necessary |
ase |
|
necessary |
pymatgen |
|
recommend |
scikit-image |
|
recommend |
minepy |
|
recommend |
torch_geometric |
Install by step:
sympy
pip install sympy>=1.6
Reference: https://www.sympy.org/en/index.html
deap
pip install deap
Reference: https://github.com/DEAP/deap
pymatgen
conda install --channel conda-forge pymatgen
Reference: https://github.com/materialsproject/pymatgen
Note
If Spblib
needed, which need C++ to compiled, please download
Python Extension Packages
and pip install locally.
Such as
pip install /your/local/path/spglib-1.16.1-cp38-cp38-win_amd64.whl
scikit-learn
conda install sklearn
Reference: https://github.com/materialsproject/pymatgen
mgetool:
pip install mgetool
Reference: https://github.com/Mgedata/mgetool
featurebox:
pip install featurebox
ase:
pip install ase
Reference: https://wiki.fysik.dtu.dk/ase/ , not necessary, just for network.