Geemi P Wellawatte

5PUBLICATIONS
12CO-AUTHORS
Knowledge representation and reasoningComputational neuroscience (incl. mathematical neuroscience and theoretical neuroscience)Computational chemistryStatistical mechanics in chemistryPlanning and decision making
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (5)

|Jan 14, 2025
Human interpretable structure-property relationships in chemistry using explainable machine learning and large language models.

Geemi P Wellawatte, Philippe Schwaller

|Aug 29, 2023
Neural potentials of proteins extrapolate beyond training data.

Geemi P Wellawatte, Glen M Hocky, Andrew D White

|Apr 17, 2023
Assessment of chemistry knowledge in large language models that generate code.

Andrew D White, Glen M Hocky, Heta A Gandhi

|Mar 27, 2023
A Perspective on Explanations of Molecular Prediction Models.

Geemi P Wellawatte, Heta A Gandhi, Aditi Seshadri

|Jun 14, 2021
Graph neural network based coarse-grained mapping prediction.

Zhiheng Li, Geemi P Wellawatte, Maghesree Chakraborty

Pageof 1

Frequent Collaborators

4 joint publications

Andrew D White

3 joint publications

Heta A Gandhi

2 joint publications

Glen M Hocky

1 joint publications

Maghesree Chakraborty