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Journal of Cheminformatics
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April 29, 2025
LAGNet: better electron density prediction for LCAO-based data and drug-like substances
Konstantin Ushenin, Kuzma Khrabrov, Artem Tsypin, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 18, 2026
Simultaneous learning of static and dynamic charges
Philipp Stärk, Henrik Stooß, Marcel F Langer, et al.
Scientific Reports
|
September 4, 2024
Doping position estimation for FeRh-based alloys
Egor Rumiantsev, Kuzma Khrabrov, Artem Tsypin, et al.
The Journal of Chemical Physics
|
April 8, 2025
Fast and flexible long-range models for atomistic machine learning
Philip Loche, Kevin K Huguenin-Dumittan, Melika Honarmand, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Cheminformatics
|
April 29, 2025
LAGNet: better electron density prediction for LCAO-based data and drug-like substances
Konstantin Ushenin, Kuzma Khrabrov, Artem Tsypin, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 18, 2026
Simultaneous learning of static and dynamic charges
Philipp Stärk, Henrik Stooß, Marcel F Langer, et al.
Scientific Reports
|
September 4, 2024
Doping position estimation for FeRh-based alloys
Egor Rumiantsev, Kuzma Khrabrov, Artem Tsypin, et al.
The Journal of Chemical Physics
|
April 8, 2025
Fast and flexible long-range models for atomistic machine learning
Philip Loche, Kevin K Huguenin-Dumittan, Melika Honarmand, et al.
Page
of 1