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@sethaxen sethaxen commented Nov 21, 2024

This PR aliases src/e3fp/conformer/generate.py as a command e3fp-conformer and src/e3fp/fingerprint/generate.py as a command e3fp-fingerprint, both added to the user's path. This allows the scripts to be used just by installing e3fp into an environment without needing to work with the source code.

Fixes #15

@sethaxen sethaxen merged commit 57680a1 into master Nov 21, 2024
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@sethaxen sethaxen deleted the clialias branch November 21, 2024 20:20
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Add conformer and fingerprint generation scripts to path upon installation

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