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Digital Discovery
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June 14, 2023
Using physical property surrogate models to perform accelerated multi-fidelity optimization of force field parameters
Owen C Madin, Michael R Shirts
Digital Discovery
|
May 20, 2026
Identification of drug candidates against glioblastoma with machine learning and high-throughput screening of heterogeneous cellular models
Vanessa Smer-Barreto, Richard J R Elliott, John C Dawson, et al.
Digital Discovery
|
April 22, 2026
Generalization of long-range machine learning potentials in complex chemical spaces
Michał Sanocki, Julija Zavadlav
Digital Discovery
|
April 29, 2026
Autonomous sampling and SHAP interpretation of deposition-rates in bipolar HiPIMS
Alexander Wieczorek, Nathan Rodkey, Jan Sommerhäuser, et al.
Digital Discovery
|
April 23, 2026
Chemist Eye: a visual language model-powered system for safety monitoring and robot decision-making in self-driving laboratories
Francisco Munguia-Galeano, Zhengxue Zhou, Satheeshkumar Veeramani, et al.
Digital Discovery
|
May 13, 2026
Accelerating discovery across scientific disciplines through reproducible workflows with AiiDAlab
Aliaksandr V Yakutovich, Daniel Hollas, Edan Bainglass, et al.
Digital Discovery
|
February 25, 2026
Scientific knowledge graph and ontology generation using open large language models
Alexandru Oarga, Matthew Hart, Andres M Bran, et al.
Digital Discovery
|
February 20, 2026
MC3D: the materials cloud computational database of experimentally known stoichiometric inorganics
Sebastiaan P Huber, Michail Minotakis, Marnik Bercx, et al.
Digital Discovery
|
February 27, 2026
Precision fragment addition: domain-specific DeepFrag2 models for smarter lead optimization
César R García-Jacas, Harrison Green, Shayne D Wierbowski, et al.
Digital Discovery
|
April 17, 2023
Enhancing diversity in language based models for single-step retrosynthesis
Alessandra Toniato, Alain C Vaucher, Philippe Schwaller, et al.
Page
of 14
Search research articles
Search
Showing results (101-110 of 131) with videos related to
Sort By:
Page
of 14
Digital Discovery
|
June 14, 2023
Using physical property surrogate models to perform accelerated multi-fidelity optimization of force field parameters
Owen C Madin, Michael R Shirts
Digital Discovery
|
May 20, 2026
Identification of drug candidates against glioblastoma with machine learning and high-throughput screening of heterogeneous cellular models
Vanessa Smer-Barreto, Richard J R Elliott, John C Dawson, et al.
Digital Discovery
|
April 22, 2026
Generalization of long-range machine learning potentials in complex chemical spaces
Michał Sanocki, Julija Zavadlav
Digital Discovery
|
April 29, 2026
Autonomous sampling and SHAP interpretation of deposition-rates in bipolar HiPIMS
Alexander Wieczorek, Nathan Rodkey, Jan Sommerhäuser, et al.
Digital Discovery
|
April 23, 2026
Chemist Eye: a visual language model-powered system for safety monitoring and robot decision-making in self-driving laboratories
Francisco Munguia-Galeano, Zhengxue Zhou, Satheeshkumar Veeramani, et al.
Digital Discovery
|
May 13, 2026
Accelerating discovery across scientific disciplines through reproducible workflows with AiiDAlab
Aliaksandr V Yakutovich, Daniel Hollas, Edan Bainglass, et al.
Digital Discovery
|
February 25, 2026
Scientific knowledge graph and ontology generation using open large language models
Alexandru Oarga, Matthew Hart, Andres M Bran, et al.
Digital Discovery
|
February 20, 2026
MC3D: the materials cloud computational database of experimentally known stoichiometric inorganics
Sebastiaan P Huber, Michail Minotakis, Marnik Bercx, et al.
Digital Discovery
|
February 27, 2026
Precision fragment addition: domain-specific DeepFrag2 models for smarter lead optimization
César R García-Jacas, Harrison Green, Shayne D Wierbowski, et al.
Digital Discovery
|
April 17, 2023
Enhancing diversity in language based models for single-step retrosynthesis
Alessandra Toniato, Alain C Vaucher, Philippe Schwaller, et al.
Page
of 14