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Geemi P. Wellawatte

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2020 – today

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2023
[i2]
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  - journals/corr/abs-2311-04047
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Geemi P. Wellawatte, Philippe Schwaller:
Extracting human interpretable structure-property relationships in chemistry using XAI and large language models. CoRR abs/2311.04047 (2023)
2020
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  - journals/jossw/BarrettCAGWW20
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Rainier Barrett, Maghesree Chakraborty, Dilnoza Amirkulova, Heta A. Gandhi, Geemi P. Wellawatte, Andrew D. White:
HOOMD-TF: GPU-Accelerated, Online Machine Learning in the HOOMD-blue Molecular Dynamics Engine. J. Open Source Softw. 5(51): 2367 (2020)
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  - journals/corr/abs-2007-04921
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Zhiheng Li, Geemi P. Wellawatte, Maghesree Chakraborty, Heta A. Gandhi, Chenliang Xu, Andrew D. White:
Graph Neural Network Based Coarse-Grained Mapping Prediction. CoRR abs/2007.04921 (2020)

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