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🐛 Bug: Header picked up wrong from example file #1549

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GemmaTuron opened this issue Feb 12, 2025 · 0 comments
Open

🐛 Bug: Header picked up wrong from example file #1549

GemmaTuron opened this issue Feb 12, 2025 · 0 comments
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@GemmaTuron
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Describe the bug.

I have come across this issue in several models and I cannot bypass it as I dont understand its source. The model runs but it takes the wrong headers for the outputs, always putting "outcome" instead of the list of expected headers. In this case, for model eos78ao:

(ersilia) gturon@pujarnol:~/github$ ersilia -v run -i test.csv -o drugbank_test.csv
21:24:25 | DEBUG    | Getting session from /home/gturon/eos/sessions/session_275452/session.json
21:24:25 | DEBUG    | Getting session from /home/gturon/eos/sessions/session_275452/session.json
21:24:25 | DEBUG    | Getting session from /home/gturon/eos/sessions/session_275452/session.json
21:24:25 | DEBUG    | Getting session from /home/gturon/eos/sessions/session_275452/session.json
21:24:25 | DEBUG    | Is fetched: True
21:24:25 | DEBUG    | Schema available in /home/gturon/eos/dest/eos78ao/api_schema.json
21:24:25 | DEBUG    | Setting BentoML AutoService for eos78ao
21:24:25 | INFO     | Service class provided
21:24:25 | DEBUG    | Using port 41879
21:24:25 | DEBUG    | Starting Docker Daemon service
21:24:25 | DEBUG    | Creating container tmp logs folder /home/gturon/eos/sessions/session_275452/_logs/tmp and mounting as volume in container
21:24:25 | DEBUG    | Image ersiliaos/eos78ao:latest is available locally
21:24:25 | DEBUG    | Using port 33189
21:24:25 | DEBUG    | Starting Docker Daemon service
21:24:25 | DEBUG    | Creating container tmp logs folder /home/gturon/eos/sessions/session_275452/_logs/tmp and mounting as volume in container
21:24:25 | INFO     | Done with initialization!
21:24:25 | INFO     | Starting runner
21:24:25 | DEBUG    | Trying standard API
21:24:25 | INFO     | You are running the app with a standard runner. Beware that this runner does not do as many checks on the input as the conventional runner: use it at your own risk.
21:24:25 | DEBUG    | Standard API processor started at http://0.0.0.0:55991
21:24:25 | DEBUG    | This is the input type: ['Compound']
21:24:26 | DEBUG    | Determining header from standard output file: /home/gturon/eos/dest/eos78ao/example_standard_output.csv
21:24:26 | DEBUG    | This is the expected header (max 10): ['key', 'input', 'outcome']
21:24:26 | DEBUG    | It seems amenable for standard run
21:24:26 | DEBUG    | Starting standard runner
21:24:26 | DEBUG    | Two columns found in input
drugbank_test.csv

the output in csv is:

key,input,outcome
DB00006,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O,116.62299446005748,86.47263888365579,6.0,4.0,190.059247471018,2.427362205191924,4.802288542980252,190.059247471018,1.2261886933614066,5.92244693911214,5.129361815012785,0.03309265687105022,4.375821272837621,42672119.82657053,275303.9988811002,20.30989635740943,18.0,18.0,293.0,155.0,0.0,0.0,57.0,138.0,0.0,98.0,24.0,33.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,2408.0,2042.0,2714.0,2896.0,3425.0,4359.0,4112.0,4276.0,4938.0,890.0,1113.0,

Describe the steps to reproduce the behavior

No response

Operating environment

Ubuntu 24.04

@GemmaTuron GemmaTuron added the bug Something isn't working label Feb 12, 2025
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