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!

[HellenNamulinda]

Hi @GemmaTuron and @emmakodes, The model works well using Colab, CLI and Docker. Test file: eml_50.csv

Colab Output: eos4cxk_colab_output.csv

CLI: 4cxk_cli_output.csv

(ersilia) hellenah@hellenah-elitebook:~$ ersilia serve eos4cxk
🚀 Serving model eos4cxk: sars-cov-2-antiviral-screen

   URL: http://0.0.0.0:53801
   PID: -1
   SRV: pulled_docker

👉 To run model:
   - run

💁 Information:
   - info
(ersilia) hellenah@hellenah-elitebook:~$ ersilia -v run -i ~/eml_50.csv -o 4cxk_cli_output.csv > 4cxk_cli_predict.log 2>&1 
(ersilia) hellenah@hellenah-elitebook:~$ ersilia run -i "Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1"
{
    "input": {
        "key": "MCGSCOLBFJQGHM-SCZZXKLOSA-N",
        "input": "Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1",
        "text": "Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1"
    },
    "output": {
        "outcome": [
            0.0,
            0.0,
            0.0,
            0.0,
            1.0,
            0.0,
            0.0,
            1.0,
            1.0,
            0.0,
            0.0,
            0.0,
            0.0
        ]
    }
}

Docker: 4cxk_docker_output.csv

hellenah@hellenah-elitebook:~$ docker run -v /home/hellenah:/data ersiliaos/eos4cxk
+ [ -z eos4cxk ]
+ ersilia serve -p 3000 eos4cxk
🚀 Serving model eos4cxk: sars-cov-2-antiviral-screen

   URL: http://127.0.0.1:3000
   PID: 37
   SRV: conda

👉 To run model:
   - run

💁 Information:
   - info
Serving model eos4cxk...
+ echo Serving model eos4cxk...

hellenah@hellenah-elitebook:~$ docker ps
CONTAINER ID   IMAGE               COMMAND                  CREATED          STATUS          PORTS     NAMES
0b0d63a0d6e8   ersiliaos/eos4cxk   "sh /root/docker-ent…"   19 minutes ago   Up 19 minutes   80/tcp    distracted_dewdney
hellenah@hellenah-elitebook:~$ docker exec -it 0b0d63a0d6e8 /bin/bash 
root@0b0d63a0d6e8:~# ersilia -v run -i /data/eml_50.csv -o /data/4cxk_docker_output.csv > /data/4cxk_docker_predict.log 2>&1
root@0b0d63a0d6e8:~# ersilia run -i "Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1"
{
    "input": {
        "key": "MCGSCOLBFJQGHM-SCZZXKLOSA-N",
        "input": "Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1",
        "text": "Nc1nc(NC2CC2)c3ncn([C@@H]4C[C@H](CO)C=C4)c3n1"
    },
    "output": {
        "outcome": [
            0.0,
            0.0,
            0.0,
            0.0,
            1.0,
            0.0,
            0.0,
            1.0,
            1.0,
            0.0,
            0.0,
            0.0,
            0.0
        ]
    }
}