New model ready for testing!

[github-actions[bot]]

This model is ready for testing. If you are assigned to this issue, please try it out using the CLI, Google Colab and DockerHub and let us know if it works!

[GemmaTuron]

Hi, let's test the CLI and Colab while we debug the DockerHub issue

[ZakiaYahya]

Hi @GemmaTuron @samuelmaina I have tested the model on CLI and Colab. and the model is working fine. Here's the output files, eos2r5a_ COLAB.csv eos2r5a_CLI.csv

[HellenNamulinda]

Hi @samuelmaina , The model works well using Colab, eos2r5a_Colab_output.csv

And it also works on CLI for string inputs (eos2r5a_predict_file.log and for file inputs but only if no output file is specified eos2r5a_predict_file_cli.log.

However, ersilia CLI is failing when given an output file eos2r5a_predictfile.log. The error is related to

File "/home/hellenah/ersilia/ersilia/io/output.py", line 173, in __cast_values
    v += v_
TypeError: 'float' object is not iterable

Model eos9tyg here is also throwing the same error when given an output file using Ersilia CLI.

I have tried fetching other new models and they work well when given output files. So, it could be an issue in the output (metadata for this model)

[samuelmaina]

@HellenNamulinda , I will look into why the CLI version is behaving like that in the weekend. Thanks for sharing

[samuelmaina]

Hi @samuelmaina , The model works well using Colab, eos2r5a_Colab_output.csv

And it also works on CLI for string inputs (eos2r5a_predict_file.log and for file inputs but only if no output file is specified eos2r5a_predict_file_cli.log.

However, ersilia CLI is failing when given an output file eos2r5a_predictfile.log. The error is related to

File "/home/hellenah/ersilia/ersilia/io/output.py", line 173, in __cast_values
    v += v_
TypeError: 'float' object is not iterable

Model eos9tyg here is also throwing the same error when given an output file using Ersilia CLI.

I have tried fetching other new models and they work well when given output files. So, it could be an issue in the output (metadata for this model)

@miquelduranfrigola , can you give me a clue where this may be emerging from?I tested in my CLI and it didn't throw when given the output file.

[GemmaTuron]

Hi @samuelmaina What is the status of this?

[samuelmaina]

@GemmaTuron checking.

[samuelmaina]

@HellenNamulinda , the output file error still emerging from your side?

[samuelmaina]

I have tested on my side and everything is working fine. eos2r5a_new_ersilia_cli_pred.log eos2r5a_new_ersilia_cli_pred.csv

[GemmaTuron]

@HellenNamulinda can you confirm this is working for you as well?

[HellenNamulinda]

Hello @GemmaTuron and @samuelmaina, I tested this model using docker and it's working well when given output files. eos2r5a_docker_predict.log, eos2r5a_docker_output.csv

hellenah@hellenah-elitebook:~$ docker ps
CONTAINER ID   IMAGE               COMMAND                  CREATED          STATUS          PORTS     NAMES
70dd7b7ec6d6   ersiliaos/eos2r5a   "sh /root/docker-ent…"   29 minutes ago   Up 17 minutes   80/tcp    nifty_sinoussi
hellenah@hellenah-elitebook:~$ docker exec -it 70dd7b7ec6d6 /bin/bash
root@70dd7b7ec6d6:~# ersilia run -i "CC(=O)NC1=CC=C(O)C=C1"
{
    "input": {
        "key": "RZVAJINKPMORJF-UHFFFAOYSA-N",
        "input": "CC(=O)NC1=CC=C(O)C=C1",
        "text": "CC(=O)NC1=CC=C(O)C=C1"
    },
    "output": {
        "outcome": [
            0.99503124
        ]
    }
}

Even model eos9tyg by @emmakodes , it also working well on my end (eos9tyg_docker_output.csv, eos9tyg_file_output_docker.log)