OlorenVec and Oloren ChemEngine (ACS Fall 2022)

could not render the beautiful face of this article's author :( David Huang 8/25/22
We were so excited to attend ACS Fall 2022 and meet with the Chemical Information (CINF) and Computers in Chemistry (COMP) divisions. We presented our on OlorenVec, our supervised contrastive learned molecular representation, as well as released our Oloren ChemEngine, a Python library for molecular property predictors and associated tools including uncertainty quantification and interpretability tools.
Oloren ChemEngine (OCE) can be found on GitHub. Below is an embedded PowerPoint of the presentation. Please give it a few seconds to load.