This database contains the data for the DNA structures used to train the e3nn machine learning electron density model in the publication, “Predicting accurate ab initio DNA electron densities with equivariant neural networks": https://doi.org/10.1016/j.bpj.2022.08.045. See the file DNA-density-database.pdf for details
We introduce an atom-centered, symmetry-adapted framework to machine-learn the valence charge densit...
Data used in the paper "Transferring Chemical and Energetic Knowledge Between Molecular Systems With...
The data collected and reported for the publication entitled: An Interplay of Mechanical and Structu...
Analytic Electron Density Representation for Electron Density Learning Electron density learning is...
21 Pág.Electron positions are intrinsically probabilistic. The electron density function (ρ(r)) cond...
21 Pág.Electron positions are intrinsically probabilistic. The electron density function (ρ(r)) cond...
21 Pág.Electron positions are intrinsically probabilistic. The electron density function (ρ(r)) cond...
This database contains electron densities represented in the def2-universal-JFIT atom centered basis...
International audienceAdvanced electron density-based descriptors for obtaining chemical information...
Due to the character of the original source materials and the nature of batch digitization, quality ...
Solving Quantum Mechanics (QM) many-body electronic problems in molecular systems has become one of ...
High-quality three-dimensional structural data is of great value for the functional interpretation o...
Solving Quantum Mechanics (QM) many-body electronic problems in molecular systems has become one of ...
Solving Quantum Mechanics (QM) many-body electronic problems in molecular systems has become one of ...
Thesis (Master's)--University of Washington, 2019Understanding a protein’s structure can lead to the...
We introduce an atom-centered, symmetry-adapted framework to machine-learn the valence charge densit...
Data used in the paper "Transferring Chemical and Energetic Knowledge Between Molecular Systems With...
The data collected and reported for the publication entitled: An Interplay of Mechanical and Structu...
Analytic Electron Density Representation for Electron Density Learning Electron density learning is...
21 Pág.Electron positions are intrinsically probabilistic. The electron density function (ρ(r)) cond...
21 Pág.Electron positions are intrinsically probabilistic. The electron density function (ρ(r)) cond...
21 Pág.Electron positions are intrinsically probabilistic. The electron density function (ρ(r)) cond...
This database contains electron densities represented in the def2-universal-JFIT atom centered basis...
International audienceAdvanced electron density-based descriptors for obtaining chemical information...
Due to the character of the original source materials and the nature of batch digitization, quality ...
Solving Quantum Mechanics (QM) many-body electronic problems in molecular systems has become one of ...
High-quality three-dimensional structural data is of great value for the functional interpretation o...
Solving Quantum Mechanics (QM) many-body electronic problems in molecular systems has become one of ...
Solving Quantum Mechanics (QM) many-body electronic problems in molecular systems has become one of ...
Thesis (Master's)--University of Washington, 2019Understanding a protein’s structure can lead to the...
We introduce an atom-centered, symmetry-adapted framework to machine-learn the valence charge densit...
Data used in the paper "Transferring Chemical and Energetic Knowledge Between Molecular Systems With...
The data collected and reported for the publication entitled: An Interplay of Mechanical and Structu...