Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters

<p>Datasets related to the paper "Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters".</p> <ul> <li>Structures of all building blocks (cap_building_blocks.csv, bridge_building_blocks.csv, core_building_blocks.csv)</li> <li>Seed dataset of OSL emitters and their spectroscopic properties (seed_dataset_exp.csv)</li> <li>Full dataset of OSL emitters and their spectroscopic properties (full_dataset_exp.csv)</li> <li>Selected computed excited-state descriptors for training the graph neural network (seed_dataset_tddft.csv)</li> <li>Full dataset of computed excited-state descriptors (full_dataset_comp.csv)</li> <li>Raw HPLC-MS data of all synthesis &ndash; characterization runs (hplcms_runs.zip)</li> <li>Raw NMR data of all fully characterized compounds (nmr_data.zip)</li> <li>Spectroscopic characterization data and ASE threshold determination from thin films (thin_film_spectra.zip, thin_film_ase_data.zip)</li> </ul>