Chargestate - dev container - dev guide #59
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* chargestate models and init updates * dev notebooks for chargestate * cleanup - docstrings- initial tests * run script for dominant charge * fix: added hf_hub dependency by default * Adding Noahs changes & trained model to Florians / Omars CSD prediction repo (#54) --------- Co-authored-by: omsh <[email protected]> --------- Co-authored-by: radox96 <[email protected]> Co-authored-by: Ayla <[email protected]>
* First version of the Dev Container * Add some apt packages to the container * trim down dev-requirements to new requirements + minor dockerfile changes * guide + folder for devcontainer * reorder * changes in dev setup & contribution instructions in DEVELOPMENT_GUIDE.md (#56) * testing setup and basic commands in dev container. The minor changes here were introduced by the pre-commit hook * added 2 links with instructions for docker install and post-install preparations. Adjusted DEVELOPMENT_GUIDE.md to have a dedicated & streamlined section for Implementation, separated from the setup * minor fix in code example --------- Co-authored-by: omsh <[email protected]> * pre-commit hooks note * notes about cpu torch * cleanup commented code --------- Co-authored-by: Armin Soleymaniniya <[email protected]> Co-authored-by: Ayla <[email protected]>
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