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Author:
Bas van Beek & Jelena Belic
License:
GNU Lesser General Public License v3
Summary:
A collection of tools designed for the automatic construction of chemical compounds.
Latest version:
1.1.0
Required dependencies:
assertionlib
|
auto-fox
|
contextlib2
|
data-cat
|
nano-cat
|
nano-utils
|
numpy
|
packaging
|
pandas
|
plams
|
pyyaml
|
qmflows
|
rdkit
|
rdkit-pypi
|
schema
|
scipy
|
sphinx
|
sphinx-rtd-theme
|
typing-extensions
Optional dependencies:
auto-fox
|
data-cat
|
h5py
|
ipython
|
nano-cat
|
pytest
|
pytest-cov
|
pytest-mock
|
sphinx
|
sphinx-rtd-theme
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