Setup CAR dev environment

Waztom / xchem-CAR

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Closed Waztom closed 9 months ago

Waztom commented 9 months ago

Mathew needs a local version of CAR running to see code and test the system on his machine.

Please see https://github.com/Waztom/fragalysis-devcontainer for instructions to set a development container/environment up.

MathewGolding commented 9 months ago

Hit a wall, need assistance

MathewGolding commented 9 months ago

Might be worth creating a github on the following?

[ ] How to use combichem as part of CAR
[ ] How to use Plate IDs to get the SMILES data and what data set each well was a part of