Create a docker image for kinoml - #139
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joschka-gross wants to merge 5 commits into
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mbackenkoehler
self-requested a review
August 14, 2025 11:22
- pinned all conda dependencies from successful local resolution - use miniconda instead of micromamba - some adjustments to the server setup - TODO: mount license files in the docker
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mbackenkoehler
approved these changes
Sep 11, 2025
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The docker image provides a working, conda-based installation of kinmol and opens jupyter lab as an entrypoint.