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  • Alstom
  • Paris, France
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Popular repositories

  1. RCTF2022 RCTF2022 Public

    RCTF 2022 Winter School

    Jupyter Notebook 4

  2. CECAM-MLQCDyn CECAM-MLQCDyn Public

    This is a repository for the tutorial lecture about applications of unsupervised learning analyses for molecular dynamics data presented at the MLQCDyn school in Paris.

    Jupyter Notebook 3

  3. RCTF2021 RCTF2021 Public

    RCTF 2021 Winter School

    Jupyter Notebook 2

  4. MLinQCbook22-KMs MLinQCbook22-KMs Public

    Supplementary material for the chapter "Kernel methods" in the book "Quantum Chemistry in the Age of Machine Learning".

    Jupyter Notebook 2 1

  5. MLinQCbook16-NAMD MLinQCbook16-NAMD Public

    Supplementary material for the chapter "Excited-state dynamics with machine learning" in the book "Quantum Chemistry in the Age of Machine Learning".

    Shell 2 1

  6. PCA-for-WS22 PCA-for-WS22 Public

    Custom script for dimension reduction of the WS22 datasets.

    Python 2