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'
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.