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Accelerated Multimodal Characterization of Ni and Ni-Fe Electrodeposited Films

Basset, Kimberly L.; Watkins, Tylan; Coleman, Jonathan; Bianco, Nathan; Bailey, Lauren S.; Williams, Samuel Garrett; Babuska, Tomas F.; Curry, John; DelRio, Frank W.; Henriksen, Amelia A.; Garland, Anthony; Hall, Justin; Krick, Brandon A.; Boyce, Brad L.
Organizations: MDF Open
DOI: 10.18126/v84f-we14
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

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

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

Metallic Glass Critical Thicknesses for Atomistic Feature Model

Zhang, Shixin
Organizations: Foundry
DOI: 10.18126/uxu4-kvnt
Year: 2023

Cold spray dataset through molecular dynamics simulations

Nikravesh, Yousef; Muralidharan, Krishna; Frantziskonis, George; Latypov, Marat
Organizations: MDF Open
DOI: 10.18126/7k43-j8b4
Year: 2023

DefectTrack training dataset

Sainju, Rajat; Chen, Wei-Ying; Schaefer, Samuel; Yang, Qian; Ding, Caiwen; Li, Meimei; Zhu, Yuanyuan
Organizations: Foundry
DOI: 10.18126/71ek-dyij
Year: 2023