Geemi P. Wellawatte

According to our database, Geemi P. Wellawatte authored at least 9 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

Perspective on artificial intelligence for accelerated materials design (AI4Mat) workshops in 2024.

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

Mach. Learn. Sci. Technol., 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, Michael Pieler, Samuel G. Rodriques, Andrew D. White

Proceedings of the Advances in Neural Information Processing Systems 38: Annual Conference on Neural Information Processing Systems 2025, 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