implement pore-centered PH featurizer

[kjappelbaum]

in principle, this shouldn't be too hard:

1. We get the atoms that form the pore(s) - atm, not so clear if, for instance, zeo++ could directly return this
2. If needed, we unfold the PBC - challenge here is, of course that for channels we could replicate forever. But to get a signal, one full periodic replica should be enough
3. Then run the TDA

[kjappelbaum]

This would be a pretty interesting featurizer. Already just having the atoms on the "surface" of a pore in Python would allow us to do many interesting things.

Would you be interested @sauradeep93 ?

[sauradeep93]

Hi, Yes I would be interested !!