Geemi P. Wellawatte

According to our database, Geemi P. Wellawatte authored at least 7 papers between 2020 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

Training a Scientific Reasoning Model for Chemistry.

Siddharth Narayanan, James D. Braza, Ryan-Rhys Griffiths, Albert Bou, Geemi P. Wellawatte, Mayk Caldas Ramos, Ludovico Mitchener, Samuel G. Rodriques, Andrew D. White

CoRR, June, 2025

BixBench: a Comprehensive Benchmark for LLM-based Agents in Computational Biology.

Ludovico Mitchener, Jon M. Laurent, Benjamin Tenmann, Siddharth Narayanan, Geemi P. Wellawatte, Andrew D. White, Lorenzo Sani, Samuel G. Rodriques

CoRR, March, 2025

ChemLit-QA: a human evaluated dataset for chemistry RAG tasks.

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

Mach. Learn. Sci. Technol., 2025

2024

Aviary: training language agents on challenging scientific tasks.

Siddharth Narayanan, James D. Braza, Ryan-Rhys Griffiths, Manvitha Ponnapati, Albert Bou, Jon M. Laurent, Ori Kabeli, Geemi P. Wellawatte, Sam Cox, Samuel G. Rodriques, Andrew D. White

CoRR, 2024

2023

Extracting human interpretable structure-property relationships in chemistry using XAI and large language models.

Geemi P. Wellawatte, Philippe Schwaller

CoRR, 2023

2020

HOOMD-TF: GPU-Accelerated, Online Machine Learning in the HOOMD-blue Molecular Dynamics Engine.

Rainier Barrett, Maghesree Chakraborty, Dilnoza Amirkulova, Heta A. Gandhi, Geemi P. Wellawatte, Andrew D. White

J. Open Source Softw., 2020

Graph Neural Network Based Coarse-Grained Mapping Prediction.

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

CoRR, 2020