Search Results for "molecular"
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Showing 4 open source projects for "molecular"
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Chemprop
Message Passing Neural Networks for Molecule Property Prediction
Chemprop is a repository containing message-passing neural networks for molecular property prediction. -
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DeepChem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc
...All tutorials are designed to be run on Google collab (or locally if you prefer). Tutorials are arranged in a suggested learning sequence that will take you from beginner to proficient at molecular machine learning and computational biology more broadly. -
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Spektral
Graph Neural Networks with Keras and Tensorflow 2
...The main goal of this project is to provide a simple but flexible framework for creating graph neural networks (GNNs). You can use Spektral for classifying the users of a social network, predicting molecular properties, generating new graphs with GANs, clustering nodes, predicting links, and any other task where data is described by graphs. Spektral implements some of the most popular layers for graph deep learning. Spektral also includes lots of utilities for representing, manipulating, and transforming graphs in your graph deep learning projects. ... -
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