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rishigurnani/README.md

Hi there, I'm Rishi 👋

Currently, I'm the Director of Software Engineering & Algorithms at Matmerize. Formerly, I was a Ph.D student working on computational materials science in the Ramprasad Group at Georgia Tech. My open source work is split between my personal GitHub profile and the Ramprasad Group's GitHub profile. Some of my contributions in the latter profile include:

  • polyGNN: A codebase that contains the code and environment used to train the graph neural networks presented in a companion paper, polyGNN: Multitask graph neural networks for polymer informatics.
  • Linker SMILES Extractor (LSE): A codebase that allows a user to return the SMILES (simplified molecular-input line-entry system) strings of an input Metal Organic Framework’s constituent linkers.

More about me

You can learn more about me and keep up with my work at my website, LinkedIn, and Google Scholar profile.

Popular repositories

  1. polygnn_trainer polygnn_trainer Public

    A Python library to automate ML model training for polymer informatics.

    Python 1 4

  2. pymatgen pymatgen Public

    Forked from materialsproject/pymatgen

    Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

    Python

  3. iclr19-graph2graph iclr19-graph2graph Public

    Forked from wengong-jin/iclr19-graph2graph

    Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)

    Jupyter Notebook

  4. nndebugger nndebugger Public

    Jupyter Notebook

  5. polygnn_kit polygnn_kit Public

    A package for performing operations on infinite polymers.

    Python

  6. rishigurnani rishigurnani Public