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Pinned

  1. CoarseGrainingVAE CoarseGrainingVAE Public

    Geometric super-resolution for molecular geometries

    Python 33 5

  2. torchmd/mdgrad torchmd/mdgrad Public

    Pytorch differentiable molecular dynamics

    Python 163 16

  3. learningmatter-mit/NeuralForceField learningmatter-mit/NeuralForceField Public

    Neural Network Force Field based on PyTorch

    Jupyter Notebook 209 49

  4. Coarse-Graining-Auto-encoders Coarse-Graining-Auto-encoders Public

    Jupyter Notebook 37 14

  5. ML4MolEng ML4MolEng Public

    Materials for the course Machine Learning for Molecular Engineering (MIT Spring 2021).

    Jupyter Notebook 14 3

  6. thermo-notes thermo-notes Public

    my notes on stat mech and thermodynamics

    TeX 2