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recisic/README.md

Hi there 👋

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I am Juno Nam, a first year PhD student in MIT DMSE & CCSE, advised by Prof. Rafael Gómez-Bombarelli. I work on dynamics-aware materials design, using molecular dynamics, free energy methods, and generative models. I am trying to do enhanced sampling with myself on the landscape of computational materials research!

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  1. learningmatter-mit/alchemical-mlip learningmatter-mit/alchemical-mlip Public

    Alchemical machine learning interatomic potentials

    Jupyter Notebook 12 2

  2. learningmatter-mit/geodesic-interpolation-cv learningmatter-mit/geodesic-interpolation-cv Public

    Geodesic interpolation for collective variables

    Jupyter Notebook 2

  3. reaction-translation reaction-translation Public

    organic chemistry reaction prediction using NMT

    Jupyter Notebook 26 8

  4. chemifest chemifest Public

    Peer Group Seminar in SNU (2019 Spring)

    HTML 1 1

  5. luigibonati/mlcolvar luigibonati/mlcolvar Public

    A unified framework for machine learning collective variables for enhanced sampling simulations

    Python 91 24

  6. learningmatter-mit/NeuralForceField learningmatter-mit/NeuralForceField Public

    Neural Network Force Field based on PyTorch

    Jupyter Notebook 226 49