Geemi P. Wellawatte

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 3

Top Topics

Energy Landscape

Dependency Structure

Top Venues

J. Open Source Softw.

Publications

Geemi P. Wellawatte, Philippe Schwaller
Extracting human interpretable structure-property relationships in chemistry using XAI and large language models. CoRR (2023)
Zhiheng Li, Geemi P. Wellawatte, Maghesree Chakraborty, Heta A. Gandhi, Chenliang Xu, Andrew D. White
Graph Neural Network Based Coarse-Grained Mapping Prediction. CoRR (2020)
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) (2020)