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Description
The showcase notebook hasn't been updated to the newest OpenFE release.
Additionally, running the showcase notebook in google colab is giving me following numpy error.
import locale
locale.getpreferredencoding = lambda _: 'UTF-8' # hack for google colab, not needed for local execution
from openfe import SmallMoleculeComponent
# Load ligands using RDKit
ligands_sdf = Chem.SDMolSupplier('inputs/tyk2_ligands.sdf', removeHs=False)
# Now pass these to form a list of Molecules
ligand_mols = [SmallMoleculeComponent(sdf) for sdf in ligands_sdf]
---------------------------------------------------------------------------
AttributeError Traceback (most recent call last)
[<ipython-input-11-00f731212e82>](https://localhost:8080/#) in <cell line: 0>()
1 import locale
2 locale.getpreferredencoding = lambda _: 'UTF-8' # hack for google colab, not needed for local execution
----> 3 from openfe import SmallMoleculeComponent
4
5 # Load ligands using RDKit
15 frames
[/usr/local/lib/python3.11/dist-packages/numpy/__init__.py](https://localhost:8080/#) in __getattr__(attr)
408 return char.chararray
409
--> 410 raise AttributeError("module {!r} has no attribute "
411 "{!r}".format(__name__, attr))
412
AttributeError: module 'numpy' has no attribute 'cumproduct'
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