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The Journal of Chemical Physics
|
November 5, 2024
Inferring the existence of hydrogen bonds directly from statistical analysis of molecular dynamics trajectories
Valerii Chuiko, Paul W Ayers
The Journal of Physical Chemistry. A
|
February 28, 2025
AtomDB: A Python Library and Database for Atomic and Promolecular Properties
Gabriela Sánchez Díaz, Michelle Richer, Marco Martínez González, et al.
Biorxiv : the Preprint Server for Biology
|
December 3, 2025
Selector: A General Python Library for Diverse Subset Selection
Fanwang Meng, Marco Martínez González, Valerii Chuiko, et al.
Journal of Chemical Information and Modeling
|
January 27, 2026
Selector: A General Python Library for Diverse Subset Selection
Fanwang Meng, Marco Martínez González, Valerii Chuiko, et al.
The Journal of Chemical Physics
|
October 7, 2024
ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals
Valerii Chuiko, Addison D S Richards, Gabriela Sánchez-Díaz, et al.
The Journal of Chemical Physics
|
October 4, 2024
PyCI: A Python-scriptable library for arbitrary determinant CI
Michelle Richer, Gabriela Sánchez-Díaz, Marco Martínez-González, et al.
The Journal of Chemical Physics
|
July 30, 2024
GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions
Taewon David Kim, Leila Pujal, Michelle Richer, et al.
Journal of Computational Chemistry
|
December 28, 2020
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files
Toon Verstraelen, William Adams, Leila Pujal, et al.
Page
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
November 5, 2024
Inferring the existence of hydrogen bonds directly from statistical analysis of molecular dynamics trajectories
Valerii Chuiko, Paul W Ayers
The Journal of Physical Chemistry. A
|
February 28, 2025
AtomDB: A Python Library and Database for Atomic and Promolecular Properties
Gabriela Sánchez Díaz, Michelle Richer, Marco Martínez González, et al.
Biorxiv : the Preprint Server for Biology
|
December 3, 2025
Selector: A General Python Library for Diverse Subset Selection
Fanwang Meng, Marco Martínez González, Valerii Chuiko, et al.
Journal of Chemical Information and Modeling
|
January 27, 2026
Selector: A General Python Library for Diverse Subset Selection
Fanwang Meng, Marco Martínez González, Valerii Chuiko, et al.
The Journal of Chemical Physics
|
October 7, 2024
ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals
Valerii Chuiko, Addison D S Richards, Gabriela Sánchez-Díaz, et al.
The Journal of Chemical Physics
|
October 4, 2024
PyCI: A Python-scriptable library for arbitrary determinant CI
Michelle Richer, Gabriela Sánchez-Díaz, Marco Martínez-González, et al.
The Journal of Chemical Physics
|
July 30, 2024
GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions
Taewon David Kim, Leila Pujal, Michelle Richer, et al.
Journal of Computational Chemistry
|
December 28, 2020
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files
Toon Verstraelen, William Adams, Leila Pujal, et al.
Page
of 1