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Dec 9, 2021 - QUAM-AFM
ZIP Archive - 144,0 MB - MD5: 547df5e75c2021d840d2acb0b73ac719
Set of dictionaries created with the pickle package (Python 3.7) linking each molecule with the IUPAC name and the chemical formula by the CID number in PubChem (https://pubchem.ncbi.nlm.nih.gov/)
Dec 9, 2021 - QUAM-AFM
ZIP Archive - 145,2 KB - MD5: 34bfbae7b0e0aab962d4b5de3167778c
Folder with the Python QUAM.py script that allows visualization and search of the AFM simulations using a Graphical User Interface (GUI)
Dec 9, 2021 - QUAM-AFM
ZIP Archive - 274,1 GB - MD5: aee5679ab8e29b2da58bdc11affcd5e9
DataDatos
Set of folders (each compressed in .tar.gz format) containing the AFM simulations split according to the simulation parameters (K-1,...,K-24), the ball and stick representations (JMOL_IMAGES), the atomic coordinates (XYZ_FILES), and the height maps (HM)
Dec 9, 2021 - QUAM-AFM
Plain Text - 19,3 KB - MD5: eac7ee983c9bc62a72c4babe83f52881
DocumentaciónDocumentation
Dec 9, 2021 - QUAM-AFM Lite
Plain Text - 19,3 KB - MD5: d77e0803e5e59539f970e02e778bbb2e
DocumentaciónDocumentation
Dec 9, 2021 - QUAM-AFM Lite
Gzip Archive - 673,7 MB - MD5: d55eb3cbcfc60b8b97b7d30a5eeab139
DataDatos
QUAM-AFM Lite contains simulated AFM images for 1755 molecules. These images are located in the QUAM folder. The GUI folder contains a Graphical User Interface (GUI) that allows visualization and search of the data in QUAM, using the Python pickle module dictionaries in the DICTI...
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