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95 followers · 57 following

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Achievement: Pull Sharkx3Achievement: QuickdrawAchievement: Pair ExtraordinaireAchievement: YOLOAchievement: StarstruckAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pull Sharkx3Achievement: QuickdrawAchievement: Pair ExtraordinaireAchievement: YOLOAchievement: StarstruckAchievement: Arctic Code Vault Contributor

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@learningmatter-mit

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recisic/README.md

LinkedIn | Google Scholar | Website

I’m a fourth-year PhD student in MIT DMSE, advised by Rafael Gómez-Bombarelli, and a research scientist intern on the FAIR Chemistry team at Meta, working with Ben Miller.
I study atomic motion in molecules and materials using ML interatomic potentials, free energy methods, and generative modeling.

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  1. facebookresearch/wt-asbs facebookresearch/wt-asbs Public

    Code for “Enhancing Diffusion-Based Sampling with Molecular Collective Variables"

    Python 25 2

  2. learningmatter-mit/liflow learningmatter-mit/liflow Public

    Flow matching for accelerated simulation of atomic transport

    Python 69 6

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

    Alchemical machine learning interatomic potentials

    Jupyter Notebook 39 7

  4. learningmatter-mit/mepin learningmatter-mit/mepin Public

    Transferable learning of reaction pathways

    Python 10 1

  5. reaction-translation reaction-translation Public

    organic chemistry reaction prediction using NMT

    Jupyter Notebook 32 10

  6. facebookresearch/fairchem facebookresearch/fairchem Public

    FAIR Chemistry's library of machine learning methods for chemistry

    Python 2.2k 503