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connorcoley / rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling
MIT License
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Adds CI for pypi #26

Closed thomasstruble closed 3 years ago

thomasstruble commented 3 years ago

All the secrets are set up in fork https://github.com/thomasstruble/rdchiral but the fork will be mirrored and pull changes from connorcoley/rdchiral.

The pipeline runs when there is a merge into master. The version number in setup.py will have to be changed for the new version to be successfully published.

thomasstruble commented 3 years ago

@mefortunato @connorcoley forgot to add reviewers but could you take a look?

mefortunato commented 3 years ago

@thomasstruble Looks good to me.

thomasstruble commented 3 years ago

@connorcoley @mefortunato it can only be merged by someone who has write acess to the repo. So if it looks good one of you merge it