descriptastorus support

[bp-kelley]

Hi Eric! It's been a while. I've stolen your pyjanitor ides for the descriptastorus for chemistry related descriptors:

https://github.com/bp-kelley/descriptastorus

df = pandas.DataFrame(dict(smiles=smiles))
df2 = descriptastorus.descriptors.create_descriptors(
            df, mols_column_name="smiles", generator_names=["Morgan3Counts","RDKit2D"])

I use a string based naming convention for the generators since they are all a bit different.

The integration was straightforward. Let me know if you want me to integrate this with pyjanitor, otherwise, thanks for the idea.

[ericmjl]

Brian!!! Nice to hear from you again. Let me guess, is Joanne responsible for introducing the method chain to you?

Anyways, I jest! What is the API that you're thinking of for a pyjanitor integration? Would it look like the following?

df = pd.DataFrame(...)
descriptors = df.create_descriptors(mols_column_name="smiles", generator_names=[...])