Ben Bowen
Ben Bowen
I'm converting all the molecules in my database to canonical-tautomers and noticed that things like NADH looked weird. You can see it most plainly for phosphoric acid. I didn't expect...
Have you made plans for reconciling forms of sugars? For example, glucose can exist in an open and closed form. I recently integrated a large number of chemical databases (before...
Flattening a nested dict that contains lists works great, but unflatten makes dicts instead of lists when index is list index. I rewrote part of your lib to unflatten for...