Search research articles
Contact Us
Filters
Showing results (1-10 of 5) with videos related to
Page
of 1
Sort By:
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.
Communications Chemistry
|
February 18, 2026
A conformational benchmark for optical property prediction with solvent-aware graph neural networks
Denis Potapov, Sergei Rogovoi, Kuzma Khrabrov, et al.
Briefings in Bioinformatics
|
July 7, 2025
AFToolkit: a framework for molecular modeling of proteins with AlphaFold-derived representations
Maria Sindeeva, Alexander Telepov, Nikita Ivanisenko, et al.
Scientific Reports
|
September 4, 2024
Doping position estimation for FeRh-based alloys
Egor Rumiantsev, Kuzma Khrabrov, Artem Tsypin, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2022
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
Kuzma Khrabrov, Ilya Shenbin, Alexander Ryabov, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) 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.
Communications Chemistry
|
February 18, 2026
A conformational benchmark for optical property prediction with solvent-aware graph neural networks
Denis Potapov, Sergei Rogovoi, Kuzma Khrabrov, et al.
Briefings in Bioinformatics
|
July 7, 2025
AFToolkit: a framework for molecular modeling of proteins with AlphaFold-derived representations
Maria Sindeeva, Alexander Telepov, Nikita Ivanisenko, et al.
Scientific Reports
|
September 4, 2024
Doping position estimation for FeRh-based alloys
Egor Rumiantsev, Kuzma Khrabrov, Artem Tsypin, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2022
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
Kuzma Khrabrov, Ilya Shenbin, Alexander Ryabov, et al.
Page
of 1