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@lcmd-epfl

Laboratory for Computational Molecular Design

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  1. cell2mol Public

    Python 26 6

  2. Q-stack Public

    Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)

    Python 18 5

  3. NaviCat Public

    A platform for catalyst discovery

    11

  4. EquiReact Public

    Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geometric Deep Learning for Chemical Reactions", J. Chem. Inf. Mod…

    23 5

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