Stuck on an issue?

Lightrun Answers was designed to reduce the constant googling that comes with debugging 3rd party libraries. It collects links to all the places you might be looking at while hunting down a tough bug.

And, if you’re still stuck at the end, we’re happy to hop on a call to see how we can help out.

Encoding representations

See original GitHub issue

Hello,

I’m pretty new to autoencoders and I know we can use utilize them for unsupervised learning. Is it possible to use this model to create representations (with encoding) for a set of SMILES?

If so, I guess first I had to preprocess my data set, then use sample.py ?

Thanks!

Issue Analytics

State:
Created 6 years ago
Comments:5

Top GitHub Comments

1reaction

pecherskycommented, May 25, 2017

Those reasons are why we developed sample_gen.py and train_gen.py, which generate the one-hot representations on the fly and can train the model using the fit_generator functionality of Keras.

To train the model in such a way, run python train_gen.py structures.h5 model.h5, where structures.h5 is an h5 file containing structures under the ‘structure’ key. Check out the source for train_gen.py for more details.

On Thu, May 25, 2017 at 3:01 AM, hkmztrk notifications@github.com wrote:

Hello, thanks for your suggestion. Sorry for my asking but, how do we generate them on the fly? Aren’t we supposed to learn the model first? How do we do that?

— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/maxhodak/keras-molecules/issues/64#issuecomment-303939205, or mute the thread https://github.com/notifications/unsubscribe-auth/AFGDhp7WKoES35uWL3zu54DUfSzIf7Upks5r9SdagaJpZM4NdshN .

0reactions

hkmztrkcommented, May 25, 2017

Hello, thanks for your suggestion. Sorry for my asking but, how do we generate them on the fly? Aren’t we supposed to learn the model first? How do we do that?

Top Results From Across the Web

Transformation, encoding and representation - Cell Press

Encoding is transformation into a code that carries information and can be decoded, as in the transformation of a text message into Morse...

Data Encoding and Representation - Elavon Developer Portal

Data Encoding and Representation ... This section describes the attributes of Elavon ISO-8583 message fields. Attribute. Description. N x. x numeric digits ...

Do Encoder Representations of Generative Dialogue Models ...

In this work, we showcase evaluating the text generated through human or automatic metrics is not sufficient to appropriately evaluate soundness ...

Perceptual and Semantic Representations at Encoding ...

Abstract. When encoding new episodic memories, visual and semantic processing is proposed to make distinct contributions to accurate memory ...

Encoding and Navigating Linguistic Representations in Memory

Successful speaking and understanding requires mechanisms for reliably encoding structured linguistic representations in memory and for effectively ...