Re: [Rdkit-discuss] NP-score and SA-score datas

[Guillaume G. <Gui...@fi...>]

Dear Nicholas,

We need to have access rawData in javascript directly from gz files but the python pickle.load function has no equivalent in javascript as far as I know.

So I need to find a way either to read the file in JS or to extract those data into json format or binary json.

Best regards,

Dr. Guillaume GODIN
Project Manager
Innovation
CORPORATE R&D DIVISION
DIRECT LINE +41 (0)22 780 3645
MOBILE       +41 (0)79 536 1039

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________________________________
De : Nicholas Firth [Nic...@ic...]
Envoyé : dimanche, 6. septembre 2015 15:59
À : Guillaume GODIN
Cc : rdk...@li...
Objet : Re: [Rdkit-discuss] NP-score and SA-score datas

Dear Guillaume,

This is a one liner in Python, the model is saved as a Python dictionary in the case of the NP model and I believe the SA score is a Python list. Probably best you work out what you want to do with it rather than have multiple versions of such large files packaged with the source.

>>> import gzip, pickle
>>> rawData = pickle.load(gzip.open('publicnp.model.gz', 'rb'))

Best,
Nick

Nicholas C. Firth | PhD Student | Cancer Therapeutics
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On 6 Sep 2015, at 14:52, Guillaume GODIN <Gui...@fi...<mailto:Gui...@fi...>> wrote:

Dear all,

I need the original unpickle data for javascript to implement those two descriptor in RDKitjs.

Can you provide publicnp.model.gz fpscores.pkl.gz uncompressed files please ?

thanks in advance

Best regards,

Dr. Guillaume GODIN
Project Manager
Innovation
CORPORATE R&D DIVISION
DIRECT LINE +41 (0)22 780 3645
MOBILE       +41 (0)79 536 1039

Firmenich SA
RUE DES JEUNES 1 | CASE POSTALE 239 | CH-1211 GENEVE 8


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