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@SMU-CATCO

SMU Computational and Theoretical Chemistry Group (CATCO)

SMU Computational and Theoretical Chemistry Group (CATCO)

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  1. SmartCADD SmartCADD Public

    SmartCADD is an open-source virtual screening platform that combines deep learning, computer-aided drug design (CADD), and quantum mechanics methodologies within a user-friendly Python framework.

    Python 29 9

  2. URVAvis URVAvis Public

    A GUI for the curvature-based mechanistic analysis of chemical reactions

    Python 1

  3. smartcadd2 smartcadd2 Public

    Research Experiments for SmartCADD2 including: Molecular Property Prediction on QM40 dataset

    Python

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