https://github.com/aksub99/molecular-vae

Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"
https://github.com/aksub99/molecular-vae

cheminformatics chemistry deep-learning drug-discovery jupyter-notebook machine-learning materials-informatics materials-science molecular-structures natural-language-processing python pytorch variational-autoencoder

Last synced: 17 days ago
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Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"

• Host: GitHub
• URL: https://github.com/aksub99/molecular-vae
• Owner: aksub99
• License: mit
• Created: 2019-05-19T15:59:51.000Z (over 5 years ago)
• Default Branch: master
• Last Pushed: 2021-03-31T13:16:36.000Z (over 3 years ago)
• Last Synced: 2024-10-10T22:14:56.001Z (about 1 month ago)
• Topics: cheminformatics, chemistry, deep-learning, drug-discovery, jupyter-notebook, machine-learning, materials-informatics, materials-science, molecular-structures, natural-language-processing, python, pytorch, variational-autoencoder
• Language: Jupyter Notebook
• Homepage:
• Size: 2.92 MB
• Stars: 60
• Watchers: 5
• Forks: 14
• Open Issues: 2

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