Python integration API - Githubissues

crest-lab / crest

CREST - A program for the automated exploration of low-energy molecular chemical space.

https://crest-lab.github.io/crest-docs/

GNU Lesser General Public License v3.0

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Closed andre-cloud closed 8 months ago

andre-cloud commented 2 years ago

Is there a way to call crest with some sort of Python API? (without using "os.system" or equivalent methods)

pprcht commented 2 years ago

No, sorry I'm afraid there isn't. Maybe we'll be able to add something like this in the long run, but currently there are no plans.

andre-cloud commented 2 years ago

It's unfortunate. 😢

github-actions[bot] commented 8 months ago

This issue had no activity for 6 months. It will be closed in 1 week unless there is some new activity.