Mike Henry 80cbc22f0c Update docker image to use python 3.12 and rdkit==2025.09.1 (#1611) ...

* Let's use python 3.12 on the docker image

* try installing the rdkit version I want to test

* free up diskspace

* include source

* Apply suggestion from @atravitz

* fix indent

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Co-authored-by: Alyssa Travitz <31974495+atravitz@users.noreply.github.com>

2025-10-23 14:56:34 -07:00

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Dockerfile

add ps to the docker image (interline needed this)

2023-07-21 09:27:46 -07:00

environment.yml

Update docker image to use python 3.12 and rdkit==2025.09.1 (#1611)

2025-10-23 14:56:34 -07:00