Evaluating Machine Learning Models with NERO: Non-Equivariance Revealed on Orbits. - Zhuokai Zhao; Takumi Matsuzawa; William Irvine; Michael Maire; Gordon L. Kindlmann (CoRR, 2023)

In silico characterization of the psilocybin biosynthesis pathway. - William Irvine; Marshall Tyler; Rupika Delgoda (Comput. Biol. Chem., 2023)