Shih-Cheng Li

5PUBLICATIONS
34CO-AUTHORS
Computational chemistryFormal methods for softwareChemical and thermal processes in energy and combustionBiomolecular modelling and design
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Publications (5)

|Sep 06, 2026
QuantumPioneer: Scalable Generation of Quantum Chemical Data for Solution-Phase Hydrogen Transfer Reactions.

|Dec 26, 2025
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction.

David E Graff, Nathan K Morgan, Jackson W Burns

|May 21, 2025
ASKCOS: Open-Source, Data-Driven Synthesis Planning.

Zhengkai Tu, Sourabh J Choure, Mun Hong Fong

|Dec 03, 2024
Integrating Machine Learning and Large Language Models to Advance Exploration of Electrochemical Reactions.

Zhiling Zheng, Federico Florit, Brooke Jin

|Dec 21, 2023
Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back.

Brent A Koscher, Richard B Canty, Matthew A McDonald

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Frequent Collaborators

5 joint publications

William H Green

4 joint publications

Haoyang Wu

3 joint publications

Connor W Coley

3 joint publications

Klavs F Jensen