The QSRR_Automator tool has a good UI and is already used in the analytical team - the code looks pretty bad though.
Maybe we can check out the codebase and find out how easy it would be to implement a docker container with the tool that has exposes some workflows/procedures of the tool?
If the codebase is okay for that and the necessary high-level API functions are available, we can organize some meeting with the lab to find out the specific workflow and make a first tool.
The QSRR_Automator tool has a good UI and is already used in the analytical team - the code looks pretty bad though.
Maybe we can check out the codebase and find out how easy it would be to implement a docker container with the tool that has exposes some workflows/procedures of the tool?
If the codebase is okay for that and the necessary high-level API functions are available, we can organize some meeting with the lab to find out the specific workflow and make a first tool.