The Materials Data Facility

Discover Data

Search Results

Impact of CeO2 on Mechanical Properties of Resilient Liner

Akeel, Mustafa; Sadiq, Wasmaa
Organizations: MDF Open
DOI: 10.18126/1tjo-vurp
Year: 2023

The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6 using correlated methods

Annaberdiyev, Abdulgani; Mitas, Lubos; Krogel, Jaron T.; Ganesh, Panchapakesan
Organizations: MDF Open
DOI: 10.18126/icm7-z0n8
Year: 2023

AtomVison: Atomistic STM images of 2D materials with unique chemical compositions and structure

Choudhary, Kamal; Gurunathan, Ramya; DeCost, Brian; Biacchi, Adam
Organizations: Foundry
DOI: 10.18126/r6dh-lser
Year: 2023

AtomVison: Simulated Atomistic STEM images of 2D materials with unique chemical compositions and structure based on convolution approximation

Choudhary, Kamal; Gurunathan, Ramya; DeCost, Brian; Biacchi, Adam
Organizations: Foundry
DOI: 10.18126/raou-p0vg
Year: 2023

RetroTransformDB - a dataset of transforms (retrosynthetic reactions)

Avramova, Svetlana; Kochev, Nikolay; Angelov, Plamen
Organizations: MDF Open
DOI: 10.18126/kqww-lkdy
Year: 2023

PhotoDock: Docking scores and poses of photoactive drugs

Axelrod, Simon; Shakhnovich, Eugene; Gomez-Bombarelli, Rafael
Organizations: MDF Open
DOI: 10.18126/41tz-igf4
Year: 2023

Machine Learning Models to Accelerate the Design of Polymeric Long-Acting Injectables

Bannigan, Pauric; Bao, Zeqing; Hickman, Riley John; Aldeghi, Matteo; Häse, Florian; Aspuru-Guzik, Alán; Allen, Christine
Organizations: MDF Open
DOI: 10.18126/4hfb-s3y1
Year: 2023

Particle–hole symmetry protects spin-valley blockade in graphene quantum dots

Banszerus, L.; Möller, S.; Hecker, K.; Icking, E.; Watanabe, K.; Taniguchi, T.; Hassler, F.; Volk, C.; Stampfer, C.
Organizations: MDF Open
DOI: 10.18126/a3gy-rufd
Year: 2023

DECIMER - Hand-drawn molecule images dataset

Brinkhaus, Henning Otto; Zielesny, Achim; Steinbeck, Christoph; Rajan, Kohulan
Organizations: MDF Open
DOI: 10.18126/k0pm-4alm
Year: 2023

Labeled Dataset of Hydrogen and Oxygen Bubbles Evolving on Electrodes

Lake, Jack; Rufer, Simon; James, Jim; Pruyne, Nathan; Scourtas, Aristana; Schwarting, Marcus; Ambadkar, Aadit; Foster, Ian; Blaiszik, Ben; Varanasi, Kripa K.
Organizations: MDF Open
DOI: 10.18126/9pj2-hpef
Year: 2023