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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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Add dockerfile and test script #79

Closed Misty-W closed 5 months ago

Misty-W commented 5 months ago

Created Dockerfile and one-line script to test that Dockerfile works (the real automated script for aquapointer is on PR #75).

Misty-W commented 5 months ago

Superceded by commit b802c23 on PR #78.

Follow PR#78 for automated workflow.