ersilia-os / eos24ci

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Test model eos24ci in CLI and Colab #2

Closed GemmaTuron closed 1 year ago

carcablop commented 1 year ago

Hi @GemmaTuron : The model eos24ci fetched successfully! in CLI: Log fetch: eos24ci_fetch_log.log Output of the input file "eml_canonical.csv": eos24ci.csv

When I run the predictions, two .csv files were created with names testing and testing_access and each one with values of SMILES and taxonomy. I attach the files: testing.csv testing_assess.csv

The model eos24c fetched successfully in Colab: log_fetch_colab_eos24ci.txt

Output in Colab: eos24ci_output.csv

paulinebanye commented 1 year ago

Hi @GemmaTuron, tests on this model were successful.

Test on CLI


[eos24ci_fetch1.log](https://github.com/ersilia-os/eos24ci/files/10447835/eos24ci_fetch1.log)
- [x] To resolve this, I ran the command `pip install drugtax`
- [x] Model fetched, served and predicted successfully on the CLI
[eos24ci_fetch.log](https://github.com/ersilia-os/eos24ci/files/10447833/eos24ci_fetch.log)
- [x] Model predicted successfully with a single smile string
`ersilia -v api predict -i CCCCC -o eos24ci_predict1.csv`
[eos24ci_predict1.csv](https://github.com/ersilia-os/eos24ci/files/10447850/eos24ci_predict1.csv)
- [x] Model predicted successfully with a csv
`ersilia -v api predict -i eml_canonical.csv -o eos24ci_predict.csv`
[eos24ci_predict.csv](https://github.com/ersilia-os/eos24ci/files/10447857/eos24ci_predict.csv)

### Test with colab

- [x] Model fetched, served and predicted successfully on colab
[eos24ci_output.csv](https://github.com/ersilia-os/eos24ci/files/10448177/eos24ci_output.csv)

https://colab.research.google.com/drive/1wkC4IWaGVS7CZGpZlI6exGYaekcgv7Sh?usp=sharing
GemmaTuron commented 1 year ago

Wonderful, we will mark this as complete and the model definitely incorporated in the Hub