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ersilia-os / ersilia-self-service

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Model Inference: eos2l0q 22.05.2024 #21

Closed GemmaTuron closed 3 months ago

GemmaTuron commented 5 months ago

Model

Anti-schistosomiasis activity - eos2l0q

Molecules

O=C1N2C(N(C)C3=C1N=CN3C4OC(CO)C(O)C4O)=NC(C)=C2 O=CC1=C(C2=C(C)C=C1O)OC3=C(O)C4=C(C(C)=C3OC2=O)COC4=O

GemmaTuron commented 5 months ago

@jmassardo

Can you help here? it seems the model name is not being well recognised at fetching time, it should only get the eos id but gets some other things?

Run MODEL_ID=$(echo '{"model":{"title":"Model","content":["Anti-schistosomiasis activity - eos2l0q"],"text":"Anti-schistosomiasis activity - eos2l0q"},"molecules":{"title":"Molecules","content":["O=C1N2C(N(C)C3=C1N=CN3C4OC(CO)C(O)C4O)=NC(C)=C2\r\nO=CC1=C(C2=C(C)C=C1O)OC3=C(O)C4=C(C(C)=C3OC2=O)COC4=O"],"text":"O=C1N2C(N(C)C3=C1N=CN3C4OC(CO)C(O)C4O)=NC(C)=C2\r\nO=CC1=C(C2=C(C)C=C1O)OC3=C(O)C4=C(C(C)=C3OC2=O)COC4=O"}}' | jq -r '.model.text' | cut -d'-' -f2-)
Usage: ersilia fetch [OPTIONS] MODEL
Try 'ersilia fetch --help' for help.

Error: Got unexpected extra arguments (activity - eos2l0q)
jmassardo commented 5 months ago

There's two dashes in that title and the workflow only understands one.

Here's the line of code that's handling that bit. Let me see of I can figure a better way to do the splitting.

GemmaTuron commented 5 months ago

I thought this might be the case! Do you have an easy fix @jmassardo? Many thanks for the swift response!

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