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[WIP] Tutorial for running Atomic Convolutions #1180

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merged 8 commits into from Feb 28, 2020

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nitinprakash96
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This is currently a work in progress. This tutorial will cover:

  • the basic structure of the Atomic Conv model.
  • featurize a selection of the pdbbind dataset and train a simple ACNN model.
  • examples, if needed

@coveralls
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coveralls commented Mar 24, 2018

Coverage Status

Coverage increased (+0.1%) to 81.276% when pulling 396dc2a on nitinprakash96:acnn into 30b0354 on deepchem:master.

@rbharath
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@nitinprakash96 Would you mind if I merged this tutorial in as-is? I can use this as a base to flesh out some material as I work on improving the tutorials.

@nitinprakash96
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@rbharath Sure. Please go ahead.

@rbharath rbharath merged commit 92dcaf9 into deepchem:master Feb 28, 2020
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3 participants