Open Accessstk: An extendable Python framework for automated molecular and supramolecular structure assembly and discovery
Author(s) -
Lukas Turcani,
Andrew Tarzia,
Filip Szczypiński,
Kim E. Jelfs
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0049708
Subject(s) - python (programming language) , workflow , computer science , modular design , software , supramolecular chemistry , visualization , graphical user interface , computational science , data structure , interface (matter) , programming language , data mining , database , parallel computing , chemistry , bubble , maximum bubble pressure method , crystal structure , crystallography
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