Strain Problems Got You in a Twist? Try StrainRelief: A Quantum-Accurate Tool for Ligand Strain Calculations. - Ewan R. S. Wallace; Nathan C. Frey; Joshua A. Rackers (J. Chem. Inf. Model., 2025)

Similarity-Quantized Relative Difference Learning for Improved Molecular Activity Prediction. - Karina Zadorozhny; Kangway V. Chuang; Bharath Sathappan; Ewan R. S. Wallace; Vishnu Sresht; Colin A. Grambow (CoRR, 2025)