Closed DhanshreeA closed 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.
Further addressed in #43
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.