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Digital Discovery
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April 27, 2026
FlowMol3: flow matching for 3D <i>de novo</i> small-molecule generation
Ian Dunn, David R Koes
Digital Discovery
|
October 17, 2025
GEOM-drugs revisited: toward more chemically accurate benchmarks for 3D molecule generation
Filipp Nikitin, Ian Dunn, David Ryan Koes, et al.
Digital Discovery
|
May 6, 2022
Natural language processing models that automate programming will transform chemistry research and teaching
Glen M Hocky, Andrew D White
Digital Discovery
|
December 6, 2023
Deep generative design of porous organic cages <i>via</i> a variational autoencoder
Jiajun Zhou, Austin Mroz, Kim E Jelfs
Digital Discovery
|
November 28, 2023
Recent advances in the self-referencing embedded strings (SELFIES) library
Alston Lo, Robert Pollice, AkshatKumar Nigam, et al.
Digital Discovery
|
November 28, 2023
Discovery of lead quinone cathode materials for Li-ion batteries
Xuan Zhou, Abhishek Khetan, Jie Zheng, et al.
Digital Discovery
|
December 23, 2022
A smile is all you need: predicting limiting activity coefficients from SMILES with natural language processing
Benedikt Winter, Clemens Winter, Johannes Schilling, et al.
Digital Discovery
|
March 19, 2026
Looking back and to the future after four-plus years of language in chemistry
Glen M Hocky, Andrew D White
Digital Discovery
|
April 15, 2026
A user's guide to your first self-driving liquid handling lab
Apostolos P Maroulis, Dylan M Waynor, Quinn M Gallagher, et al.
Digital Discovery
|
June 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning
Alessandra Toniato, Jan P Unsleber, Alain C Vaucher, et al.
Page
of 14
Search research articles
Search
Showing results (91-100 of 131) with videos related to
Sort By:
Page
of 14
Digital Discovery
|
April 27, 2026
FlowMol3: flow matching for 3D <i>de novo</i> small-molecule generation
Ian Dunn, David R Koes
Digital Discovery
|
October 17, 2025
GEOM-drugs revisited: toward more chemically accurate benchmarks for 3D molecule generation
Filipp Nikitin, Ian Dunn, David Ryan Koes, et al.
Digital Discovery
|
May 6, 2022
Natural language processing models that automate programming will transform chemistry research and teaching
Glen M Hocky, Andrew D White
Digital Discovery
|
December 6, 2023
Deep generative design of porous organic cages <i>via</i> a variational autoencoder
Jiajun Zhou, Austin Mroz, Kim E Jelfs
Digital Discovery
|
November 28, 2023
Recent advances in the self-referencing embedded strings (SELFIES) library
Alston Lo, Robert Pollice, AkshatKumar Nigam, et al.
Digital Discovery
|
November 28, 2023
Discovery of lead quinone cathode materials for Li-ion batteries
Xuan Zhou, Abhishek Khetan, Jie Zheng, et al.
Digital Discovery
|
December 23, 2022
A smile is all you need: predicting limiting activity coefficients from SMILES with natural language processing
Benedikt Winter, Clemens Winter, Johannes Schilling, et al.
Digital Discovery
|
March 19, 2026
Looking back and to the future after four-plus years of language in chemistry
Glen M Hocky, Andrew D White
Digital Discovery
|
April 15, 2026
A user's guide to your first self-driving liquid handling lab
Apostolos P Maroulis, Dylan M Waynor, Quinn M Gallagher, et al.
Digital Discovery
|
June 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning
Alessandra Toniato, Jan P Unsleber, Alain C Vaucher, et al.
Page
of 14