Clean up file structure

unitaryfund / aquapointer

Package applying quantum algorithms to find locations of water molecules in a protein cavity

GNU General Public License v3.0

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Clean up file structure #18

Closed Misty-W closed 10 months ago

Misty-W commented 10 months ago

Fixes #2

File structure:

aquapointer
- data
- MUP1
- 3D-RISM
- analog
- density_mapping
- qubo_solution
- water_placement
- analog_digital
- processor
- digital
- qubo
- utils
  - load_data
  - qubo_utils
  - vqe
- notebooks
- registers

Misty-W commented 10 months ago

Nate and I found that in order to have aquapointer.<module> I had to create one top-level folder called aquapointer in the same way as we have mitiq/mitiq. I tested the notebooks (as updated on this PR) and they run. You can check this by installing from Test PyPI.

FarLab commented 10 months ago

Thanks Misty, it looks good and I merged the PR.