Geemi P. Wellawatte - Publications, H-index & Citations

Geemi P. Wellawatte

école polytechnique fédérale de lausanne (epfl), lausanne, switzerland

8H指数

32论文数

464被引数

收录论文 8

发表时间

Perspective on artificial intelligence for accelerated materials design (AI4Mat) workshops in 2024 2024年加速材料设计的AI4Mat研讨会视角

Machine Learning: Science and Technology

IF0

2025-10-10

OAAI

Santiago Miret; Marta Skreta; Geemi Wellawatte; Stefano Martiniani; N M Anoop Krishnan; George Karypis; Kevin Maik Jablonka

ChemLit-QA: a human evaluated dataset for chemistry RAG tasks ChemLit-QA：一个经过人工评估的化学RAG任务数据集

MACHINE LEARNING-SCIENCE AND TECHNOLOGY

IF4.6

2025-04-10

OAAI

Wellawatte, Geemi P.; Guo, Huixuan; Lederbauer, Magdalena; Borisova, Anna; Hart, Matthew; Brucka, Marta; Schwaller, Philippe

Human interpretable structure-property relationships in chemistry using explainable machine learning and large language models 使用可解释的机器学习和大型语言模型在化学中人类可解释的结构-属性关系

COMMUNICATIONS CHEMISTRY

IF6.2

2025-01-14

OAAI

Wellawatte, Geemi P.; Schwaller, Philippe

Neural potentials of proteins extrapolate beyond training data

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-08-29

OAAI

Wellawatte, Geemi P.; Hocky, Glen M.; White, Andrew D.

A Perspective on Explanations of Molecular Prediction Models

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-03-27

OAAI

Wellawatte, Geemi P.; Gandhi, Heta A.; Seshadri, Aditi; White, Andrew D.

Model agnostic generation of counterfactual explanations for molecules

CHEMICAL SCIENCE

IF7.4

2022-01-01

OAAI

Wellawatte, Geemi P.; Seshadri, Aditi; White, Andrew D.

Graph neural network based coarse-grained mapping prediction (vol 11, pg 9524, 2020)

CHEMICAL SCIENCE

IF7.4

2021-01-01

OAAI

Li, Zhiheng; Wellawatte, Geemi P.; Chakraborty, Maghesree; Gandhi, Heta A.; Xu, Chenliang; White, Andrew D.

Graph neural network based coarse-grained mapping prediction

CHEMICAL SCIENCE

IF7.4

2020-01-01

OAAI

Li, Zhiheng; Wellawatte, Geemi P.; Chakraborty, Maghesree; Gandhi, Heta A.; Xu, Chenliang; White, Andrew D.

研究方向