search

unitaryfund / aquapointer

Package applying quantum algorithms to find locations of water molecules in a protein cavity
GNU General Public License v3.0
8 stars 1 forks source link

Prototype of slicing utility #30

Closed Misty-W closed 9 months ago

Misty-W commented 10 months ago

Functions for converting and slicing 3D-RISM density files. The resulting density slices are the main input to the QUBO functions.

nathanshammah commented 10 months ago

Very nice feature. One idea: If I understand correctly, this is a data pre-processing that could be used also by the digital pipeline to change QUBO slicing for the VQAs. In that case, I would suggest creating a preprocessing module at the same level of analog and digital where we can place this sort of common utilities (preprocessing?).

nathanshammah commented 10 months ago

Ops, never mind my previous comment, I did not see the recent move upwards in the stack, I agree!