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  4. Exploring the Design Space of Machine Learning Models for Quantum Chemistry with a Fully Differentiable Framework
 
research article

Exploring the Design Space of Machine Learning Models for Quantum Chemistry with a Fully Differentiable Framework

Suman, Divya  
•
Nigam, Jigyasa  
•
Saade, Sandra  
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June 25, 2025
Journal of Chemical Theory and Computation
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