Clean UP & Dockerization eos4cxk

[emmakodes]

Hello @GemmaTuron before I start refactoring this model, I ran prediction for C1=C(SC(=N1)SC2=NN=C(S2)N)[N+](=O)[O-] smile and I get the following output:

{
    "input": {
        "key": "NQQBNZBOOHHVQP-UHFFFAOYSA-N",
        "input": "C1=C(SC(=N1)SC2=NN=C(S2)N)[N+](=O)[O-]",
        "text": "C1=C(SC(=N1)SC2=NN=C(S2)N)[N+](=O)[O-]"
    },
    "output": {
        "outcome": [
            0.0,
            0.0,
            0.0,
            0.0,
            0.0,
            0.0,
            0.0,
            0.0,
            0.0,
            0.0,
            1.0,
            1.0,
            0.0
        ]
    }
}

See the outcome above, I guess the predictions are meant to be in 0s and 1s in a list right? Just to be clear

[emmakodes]

Okay, they are since the output shape of the model is a List and the Output specified for the model is Boolean(either 0 or 1)

[GemmaTuron]

I think that works fine @emmakodes !

[emmakodes]

Hello @GemmaTuron I made a PR