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Geemi P Wellawatte

Showing results (1-10 of 7) with videos related to

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Communications Chemistry|January 14, 2025
Human interpretable structure-property relationships in chemistry using explainable machine learning and large language modelsGeemi P Wellawatte, Philippe Schwaller
Chemical Science|April 18, 2022
Model agnostic generation of counterfactual explanations for moleculesGeemi P Wellawatte, Aditi Seshadri, Andrew D White
The Journal of Chemical Physics|August 29, 2023
Neural potentials of proteins extrapolate beyond training dataGeemi P Wellawatte, Glen M Hocky, Andrew D White
Journal of Chemical Theory and Computation|March 27, 2023
A Perspective on Explanations of Molecular Prediction ModelsGeemi P Wellawatte, Heta A Gandhi, Aditi Seshadri, et al.
Chemical Science|June 14, 2021
Graph neural network based coarse-grained mapping predictionZhiheng Li, Geemi P Wellawatte, Maghesree Chakraborty, et al.
Chemical Science|October 18, 2021
Correction: Graph neural network based coarse-grained mapping predictionZhiheng Li, Geemi P Wellawatte, Maghesree Chakraborty, et al.
Digital Discovery|April 17, 2023
Assessment of chemistry knowledge in large language models that generate codeAndrew D White, Glen M Hocky, Heta A Gandhi, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
Communications Chemistry|January 14, 2025
Human interpretable structure-property relationships in chemistry using explainable machine learning and large language modelsGeemi P Wellawatte, Philippe Schwaller
Chemical Science|April 18, 2022
Model agnostic generation of counterfactual explanations for moleculesGeemi P Wellawatte, Aditi Seshadri, Andrew D White
The Journal of Chemical Physics|August 29, 2023
Neural potentials of proteins extrapolate beyond training dataGeemi P Wellawatte, Glen M Hocky, Andrew D White
Journal of Chemical Theory and Computation|March 27, 2023
A Perspective on Explanations of Molecular Prediction ModelsGeemi P Wellawatte, Heta A Gandhi, Aditi Seshadri, et al.
Chemical Science|June 14, 2021
Graph neural network based coarse-grained mapping predictionZhiheng Li, Geemi P Wellawatte, Maghesree Chakraborty, et al.
Chemical Science|October 18, 2021
Correction: Graph neural network based coarse-grained mapping predictionZhiheng Li, Geemi P Wellawatte, Maghesree Chakraborty, et al.
Digital Discovery|April 17, 2023
Assessment of chemistry knowledge in large language models that generate codeAndrew D White, Glen M Hocky, Heta A Gandhi, et al.
Pageof 1