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Pinned repositories

  1. qml

    Forked from qmlcode/qml

    QML: Quantum Machine Learning

    Python

  2. bxde

    A collection of scripts for molecular dynamics simulations with BXD in energy space in 2D and 3D systems.

    Python

  3. gputil

    Forked from anderskm/gputil

    A Python module for getting the GPU status from NVIDA GPUs using nvidia-smi programmically in Python

    Python

  4. isopentane_paper_si

    Supporting information for the publication about sampling of potential energy surfaces with VR and constrained MD.

    Python 1

  5. tf_hackathon

    TensorFlow workshop for the Centre for Computational Chemistry

    Python

168 contributions in the last year

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Contribution activity

February 2019

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