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Molecular Informatics
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May 18, 2023
Exploring activity landscapes with extended similarity: is Tanimoto enough?
Timothy B Dunn, Edgar López-López, Taewon David Kim, et al.
Journal of Chemical Information and Modeling
|
November 1, 2021
Diversity and Chemical Library Networks of Large Data Sets
Timothy B Dunn, Gustavo M Seabra, Taewon David Kim, et al.
The Journal of Chemical Physics
|
April 23, 2024
The tale of HORTON: Lessons learned in a decade of scientific software development
Matthew Chan, Toon Verstraelen, Alireza Tehrani, 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
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Molecular Informatics
|
May 18, 2023
Exploring activity landscapes with extended similarity: is Tanimoto enough?
Timothy B Dunn, Edgar López-López, Taewon David Kim, et al.
Journal of Chemical Information and Modeling
|
November 1, 2021
Diversity and Chemical Library Networks of Large Data Sets
Timothy B Dunn, Gustavo M Seabra, Taewon David Kim, et al.
The Journal of Chemical Physics
|
April 23, 2024
The tale of HORTON: Lessons learned in a decade of scientific software development
Matthew Chan, Toon Verstraelen, Alireza Tehrani, 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