ersilia-os / eos-template

Template repository to add new models to the Ersilia Model Hub
GNU General Public License v3.0
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Use a more complex input for the testBuiltImage stage #40

Closed DhanshreeA closed 5 months ago

DhanshreeA commented 5 months ago

This test checks for at least one non null outcome in the model output to conclude that the model image is functional. The input molecule used within the test, "CCCC", is too simple for a lot of models such as those from ChemSampler to produce any outputs at all due to which the test fails. For example, the model eos8fma produces all null outputs for the input "CCCC", however the same model produces some non null outputs for the input molecule "CCCCCCC". We need to have a consensus on a meaningful input that would work for all the models for them to produce any output.

miquelduranfrigola commented 5 months ago

Hi @DhanshreeA , There are multiple ways forward.

Favourite way By consensus, we define an example.json file in each model. If this file exists, then, Ersilia automatically uses it with the ersilia example command. If it doesn't, then the ersilia example command runs as usual, i.e. sampling from a reference chemical space.

Less favourite way We just run the ersilia example -n 1 command to get a more complex input by default.

DhanshreeA commented 5 months ago

Further addressed in #43