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Author:
Dinga Wonanke, Maryam Nurhuda, Matthew Addicoat
License:
MIT
Summary:
A python modules to automate the building of cages and functionalising it with isomers at different positions
Latest version:
0.1.2
Required dependencies:
ase
|
gulp-setup
|
mofstructure
|
openmm
|
pytest
|
pywindow
|
scikit-learn
|
spglib
|
stk
|
tblite
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