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rishigurnani Goto Github PK

followers: 12.0 following: 6.0 repos: 12.0 gists: 0.0

Type: User

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.

rishigurnani's Projects

gpt-gnn

Code for KDD'20 "Generative Pre-Training of Graph Neural Networks"

iclr19-graph2graph

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

nndebugger

polygnn-ls

Fork of polygnn for CS8803 Limited Supervision

polygnn_kit

A package for performing operations on infinite polymers.

polygnn_trainer

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

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 is currently the core analysis code powering the Materials Project.

pytorch-classification-uncertainty

This repo contains a PyTorch implementation of the paper: "Evidential Deep Learning to Quantify Classification Uncertainty"

rishigurnani

scikit-optimize

Sequential model-based optimization with a `scipy.optimize` interface

sol_polykit

sol_trainer

1

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