Geemi P Wellawatte

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 4

Top Topics

Convolutional Neural Network

Machine Learning

Molecular Dynamics Simulations

Top Venues

Chemical science

Digital discovery

The Journal of chemical physics

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Geemi P Wellawatte, Heta A Gandhi, Aditi Seshadri, Andrew D White
A Perspective on Explanations of Molecular Prediction Models. Journal of chemical theory and computation (2023)
Geemi P Wellawatte, Glen M Hocky, Andrew D White
Neural potentials of proteins extrapolate beyond training data. The Journal of chemical physics 159 (8) (2023)
Andrew D White, Glen M Hocky, Heta A Gandhi, Mehrad Ansari, Sam Cox, Geemi P Wellawatte, Subarna Sasmal, Ziyue Yang, Kangxin Liu, Yuvraj Singh, Willmor J Peña Ccoa
Assessment of chemistry knowledge in large language models that generate code. Digital discovery 2 (2) (2023)
Zhiheng Li, Geemi P Wellawatte, Maghesree Chakraborty, Heta A Gandhi, Chenliang Xu, Andrew D White
Graph neural network based coarse-grained mapping prediction. Chemical science 11 (35) (2020)