Right now this notebook and others from this page https://docs.openforcefield.org/en/latest/examples.html fail when running on colab with the error RuntimeError: No package can be installed for pin: cudatoolkit 12.2.*
This error is documented here: conda-incubator/condacolab#60
Using this command:
!pip install -U https://github.com/conda-incubator/condacolab/archive/cuda-version-12.tar.gz
instead of
!pip install -q condacolab
to install condacolab works and is a good temporary solution until conda-incubator/condacolab#63 gets merged in.
I made #30 if you are looking for a temp fix