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Author:
None
License:
MIT
Summary:
Utilities for running QM calculations with RDKit
Latest version:
0.1.0
Required dependencies:
numpy
|
rdkit
|
rmsd
|
tqdm
Optional dependencies:
build
|
ipython
|
ipywidgets
|
jupytext
|
matplotlib
|
nglview
|
pandas
|
pip
|
pre-commit
|
pytest
|
pytest-cov
|
ruff
|
twine
|
ty
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