feat: start working on docker #5
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jannisborn
approved these changes
Jun 25, 2024
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Cool that is a great start! Some comments:
- maybe having one command per line is better for debugging purposes
- if we can complete the pipeline in a separate PR (including computation of properties and retrosynthesis), it would be great, for RXN we can create repo secrets for API Key and project iD
jannisborn
approved these changes
Jul 1, 2024
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