CMR database of organic donor-acceptor molecules (CMR, Denmark TU)
Computational Database for Active Layer Materials for Organic Photovoltaic Solar Cells (NREL)
Deep4Chem (Korea U) – DB, MolGen
DiaDEM a digital discovery platform for organic electronics (U Liverpool)
FORMED (EPFL)
Khazana (Gatech)
OMDB Organic Materials Database (Nordita)
Organic Molecular Crystal Properties Database (Pennsylviania SU)
OCELOT Organic Semiconductors by Computationally Accelerated Refinement (U Kentucky)
VERDEDB Virtual Excited State Reference for the Discovery of Electronic Materials Database (Northeastern U)
ZINC database of commercially-available compounds for virtual screening (UC San Francisco)
J Blaskovits, R Laplaza, S Vela, C Corminboeuf, Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up Design, AM 36, 2305602 (2024) – doi, FORMED
Q Ai, V Bhat, S Ryno, K Jarolimek, P Sornberger, A Smith, M Haley, J Anthony, C Risko, OCELOT: An infrastructure for data-driven research to discover and design crystalline organic semiconductors, JCP 154, 174705 (2021) – doi, OCELOT
S Borysov, R Geilhufe, A Balatsky, Organic materials database: An open-access online database for data mining, PLOS ONE 12, e0171501 (2017) – doi, OMDB
The Harvard organic photovoltaic dataset (Harvard U, 2015)
Sigma-Aldrich (Merck)