Python qsar

Open-source Python projects categorized as qsar
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Topics: drug-discovery Machine Learning Pytorch computational-chemistry graph-convolutional-networks
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Python qsar Projects

  • OpenChem

    OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

    • Project mention: Computational Chemistry Using PyTorch | news.ycombinator.com | 2023-07-22

  • clamp

    Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language (by ml-jku)

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NOTE: The open source projects on this list are ordered by number of github stars. The number of mentions indicates repo mentiontions in the last 12 Months or since we started tracking (Dec 2020).

Index

Project Stars
1 OpenChem 658
2 clamp 79

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