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Theoretical and Computational Chemistry

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Heta A. Gandhi

5 results in Authors: Heta A. Gandhi

Theoretical and Computational Chemistry

Explaining molecular properties with natural language

Heta A. Gandhi, Andrew D. White

Version 3 posted 03 October 2022

2,175

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7

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Theoretical and Computational Chemistry

Why does that molecule smell?

Aditi Seshadri, Heta A. Gandhi, Geemi P. Wellawatte, Andrew D. White

Version 1 posted 08 December 2022

1,553

Downloads

1

Citations

Theoretical and Computational Chemistry

A Perspective on Explanations of Molecular Prediction Models

Geemi P. Wellawatte, Heta A. Gandhi, Aditi Seshadri, Andrew D. White

Version 1 posted 09 December 2022

1,325

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1

Citations

Theoretical and Computational Chemistry

Assessment of chemistry knowledge in large language models that generate code

Andrew D. White, Glen M. Hocky, Heta A. Gandhi, Mehrad Ansari, Sam Cox, Geemi P. Wellawatte, Subarna Sasmal, Ziyue Yang, Kangxin Liu, Yuvraj Singh, Willmor J. Peña Ccoa

Version 2 posted 12 December 2022

3,294

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1

Citations

Theoretical and Computational Chemistry

A GPU-Accelerated Machine Learning Framework for Molecular Simulation: HOOMD-blue with TensorFlow

Rainier Barrett, Maghesree Chakraborty, Dilnoza Amirkulova, Heta Gandhi, Andrew White

Version 3 posted 16 October 2019

2,294

Downloads

2

Citations