chainer/chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
This tool helps computational chemists and biologists predict chemical properties or molecular behavior using advanced deep learning models. It takes molecular structures as input and outputs predictions for various chemical or biological properties. Researchers can use this to accelerate drug discovery, materials science research, or toxicology predictions.
688 stars. No commits in the last 6 months.
Use this if you are a researcher in chemistry or biology needing to apply state-of-the-art graph neural networks for tasks like predicting molecular properties or analyzing chemical interactions.
Not ideal if you are looking for a simple, out-of-the-box solution without any programming or deep learning expertise, as this requires familiarity with Python and deep learning frameworks.
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688
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132
Language
Python
License
MIT
Category
Last pushed
Apr 20, 2023
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