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The MPI-Mainz UV/VIS Spectral Atlas of Gaseous Molecules
Keller-Rudek, Hannelore;
Moortgat, Geert K.;
Sander, Rolf;
Sörensen, Rüdiger
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Polykovskiy, Daniil;
Zhebrak, Alexander;
Sanchez-Lengeling, Benjamin;
Golovanov, Sergey;
Tatanov, Oktai;
Belyaev, Stanislav;
Kurbanov, Rauf;
Artamonov, Aleksey;
Aladinskiy, Vladimir;
Veselov, Mark;
Kadurin, Artur;
Johansson, Simon;
Chen, Hongming;
Nikolenko, Sergey;
Aspuru-Guzik, Alan;
Zhavoronkov, Alex
Foundry - Approaching QMC quality energetics throughout chemical space using scalable quantum machine learning
Huang, Bing;
von Lilienfeld, O.;
Krogel, Jaron T;
Benali, Anouar
GEOM with Hessians
Axelrod, Simon;
Gómez-Bombarelli, Rafael
G4MP2-GDB9 Database
Narayanan, Badri;
Redfern, Paul;
Ward, Logan;
Blaiszik, Ben;
Foster, Ian;
Assary, Rajeev S.;
Curtiss, Larry