Search Results for author: Dhairya Gandhi

Found 4 papers, 1 papers with code

Chemellia: An Ecosystem for Atomistic Scientific Machine Learning

no code implementations • 19 May 2023 • Anant Thazhemadam, Dhairya Gandhi, Venkatasubramanian Viswanathan, Rachel C. Kurchin

Chemellia is an open-source framework for atomistic machine learning in the Julia programming language.

Feature Engineering Property Prediction

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Score-Based Generative Models for Molecule Generation

no code implementations • 7 Mar 2022 • Dwaraknath Gnaneshwar, Bharath Ramsundar, Dhairya Gandhi, Rachel Kurchin, Venkatasubramanian Viswanathan

Recent advances in generative models have made exploring design spaces easier for de novo molecule generation.

Benchmarking

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AutoMat: Accelerated Computational Electrochemical systems Discovery

no code implementations • 3 Nov 2020 • Emil Annevelink, Rachel Kurchin, Eric Muckley, Lance Kavalsky, Vinay I. Hegde, Valentin Sulzer, Shang Zhu, Jiankun Pu, David Farina, Matthew Johnson, Dhairya Gandhi, Adarsh Dave, Hongyi Lin, Alan Edelman, Bharath Ramsundar, James Saal, Christopher Rackauckas, Viral Shah, Bryce Meredig, Venkatasubramanian Viswanathan

Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and transportation.

Management Physics-informed machine learning

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Fashionable Modelling with Flux

2 code implementations • 1 Nov 2018 • Michael Innes, Elliot Saba, Keno Fischer, Dhairya Gandhi, Marco Concetto Rudilosso, Neethu Mariya Joy, Tejan Karmali, Avik Pal, Viral Shah

Machine learning as a discipline has seen an incredible surge of interest in recent years due in large part to a perfect storm of new theory, superior tooling, renewed interest in its capabilities.

BIG-bench Machine Learning

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