John Parkhill

According to our database, John Parkhill authored at least 3 papers between 2024 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2026

TerraBind: Fast and Accurate Binding Affinity Prediction through Coarse Structural Representations.

Matteo Rossi, Ryan Pederson, Miles Wang-Henderson, Benjamin Kaufman, Edward C. Williams, Carl Underkoffler, Owen Howell, Adrian Layer, Stephan Thaler, Narbe Mardirossian, John Parkhill

CoRR, February, 2026

2025

Pretrained Joint Predictions for Scalable Batch Bayesian Optimization of Molecular Designs.

Miles Wang-Henderson, Benjamin Kaufman, Edward C. Williams, Ryan Pederson, Matteo Rossi, Owen Howell, Carl Underkoffler, Narbe Mardirossian, John Parkhill

CoRR, November, 2025

2024

COATI: Multimodal Contrastive Pretraining for Representing and Traversing Chemical Space.

Benjamin Kaufman, Edward C. Williams, Carl Underkoffler, Ryan Pederson, Narbe Mardirossian, Ian Watson, John Parkhill

J. Chem. Inf. Model., February, 2024