Vincent Blay

SCORCH2 improves virtual screening performance and interpretability by using interaction features, showing better accuracy and transferability than its predecessor.

BioPKS Pipeline automates the design of chimeric type I polyketide synthases and enzymatic pathways to synthesize target chemicals, achieving exact designs for 93 of 155 tested molecules and proposing routes for complex natural products.

Language models trained on high-throughput affinity data predict KD of unseen antibody variants across three orders of magnitude, and a "naturalness" score can be optimised alongside affinity.