ersilia-os / eos5505

MIT License
0 stars 1 forks source link

New model ready for testing! #9

Closed github-actions[bot] closed 1 year ago

github-actions[bot] commented 1 year ago

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!

febielin commented 1 year ago

Hello @GemmaTuron @ZakiaYahya ,

Tested this model on Google Colab, CLI, and Docker. It is functional.

Documentation:

ZakiaYahya commented 1 year ago

Hi @GemmaTuron @samuelmaina The model is working fine in CLI, COLAB and Docker as well. CLI: eos5505_ CLI.csv

COLAB: eos5505_ COLAB.csv

DockerHub:

`ersilia api 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": [
             0.546
        ]
    }
}`
GemmaTuron commented 1 year ago

Thanks both!