Dependency on rdkit-pypi prevents installation of version above 0.2.1

[luiswyss]

When running pip install ProteinShake in an empty env, version 0.2.1 gets installed.

Forcing a higher version using pip install proteinshake==0.3.14, as well as installing from GitHub directly (pip install git+https://github.com/BorgwardtLab/proteinshake) fails because rdkit-pypi (which is a dependency) cannot be installed. (ERROR: No matching distribution found for rdkit-pypi>=2022.3.3)

The newer versions of rdkit can be installed through pip install rdkit. Is there a reason rdkit-pypi is required instead of rdkit? If not, I can submit a pull request.

[timkucera]

yes they changed the naming of the package... feel free to submit a PR, I will merge it then