Geemi Wellawatte

Geemi Wellawatte

École Polytechnique Fédérale de Lausanne - Lausanne / Switzerland
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 5331013
Eidgenössische Technische Hochschule Lausanne
person_outline Geemi Wellawatte's MOST POPULAR ARTICLES
1-) Model agnostic generation of counterfactual explanations for moleculesGP Wellawatte, A Seshadri, AD WhiteChemical science 13 (13), 3697-3705, 2022992022
2-) Assessment of chemistry knowledge in large language models that generate codeAD White, GM Hocky, HA Gandhi, M Ansari, S Cox, GP Wellawatte, ...Digital Discovery 2 (2), 368-376, 2023542023
3-) Graph neural network based coarse-grained mapping predictionZ Li, GP Wellawatte, M Chakraborty, HA Gandhi, C Xu, AD WhiteChemical science 11 (35), 9524-9531, 2020452020
4-) A perspective on explanations of molecular prediction modelsGP Wellawatte, HA Gandhi, A Seshadri, AD WhiteJournal of Chemical Theory and Computation 19 (8), 2149-2160, 2023342023
5-) Neural potentials of proteins extrapolate beyond training dataGP Wellawatte, GM Hocky, AD WhiteThe Journal of Chemical Physics 159, 085103, 2023122023