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PhD Chemical Engineering, working in the drug discovery space
👋
PhD Chemical Engineering, working in the drug discovery space
25 followers · 13 following

Achievements

Achievement: Pair ExtraordinaireAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair ExtraordinaireAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

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hgandhi2411/README.md

Hi there 👋

👩‍💻 I'm a Computational Chemist, working on applying machine learning for molecules 💻 + 🧪 = 😎
👀 Looking to network with other computational scientists
💬 Ask me about Python scripting, Molecular Dynamics and Machine learning
📫 Reach me at @gandhi_heta

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  1. Langevin Langevin Public

    Langevin dynamics simulation for CHE 477

    Python 1

  2. Schrodinger Schrodinger Public

    Python

  3. ur-whitelab/hoomd-tf ur-whitelab/hoomd-tf Public

    A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD

    Python 30 8

  4. ur-whitelab/CG-Mapper ur-whitelab/CG-Mapper Public

    CG-Mapper is a webpage that takes in a SMILES string and shows a graphical representation that can be used to coarse grain molecules.

    JavaScript 1 1

  5. Vehicle_to_grid Vehicle_to_grid Public

    Statistical models to test economic feasibility of vehicle to grid technology in major US cities

    Python 4 2

  6. hgandhi2411.github.io hgandhi2411.github.io Public

    Get to know me and my work!

    CSS 2