Dark Reactions Project

Transform experimental data into ML ready datasets!

Code related to serendipity recommender paper

ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software package provides an abstraction layer for human- and machine-readable experiment specification, comprehensive and extensible (meta-)data capture, and structured data reporting.

Data capture and experimental interfacing software for chemistry (part 1 of 2)

Data connected jupyter notebook for the rapid2 paper

Generic molecular descriptor generator package

Data-connected jupyter notebook for the RAPID paper

Thesis implementation of PLATIPUS