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KramerChristian / NonadditivityAnalysis

Code to analyze SAR datasets for Nonadditivity
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Package python code #1

Closed cthoyt closed 3 years ago

cthoyt commented 3 years ago

I just came across your package because it is heavily used in https://jcheminf.biomedcentral.com/articles/10.1186/s13321-021-00525-z. It would be great if it were packaged for reuse, I'd be willing to submit a PR with code and docs updates to show people how to use it more reproducibly

KramerChristian commented 3 years ago

Hi Charles,

sorry for the delayed answer. I would appreciate if you submit a PR with updates to the code and docs that improve the code. If you can prepare the code so that it can be packaged for reuse, I will also support it from my side. However, as may be evident from the time lag of my answer, I currently do not have the bandwidth to develop more code or packaging by myself.

Please let me know if your offer is still up-to-date.

Bests, Christian

cthoyt commented 3 years ago

Yes, the offer is still open! I will take care of this and do my best to document the steps.