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volcanic
volcanic PublicForked from lcmd-epfl/volcanic
A program to automatically generate volcano plots for catalysis.
Python
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xyz2mol
xyz2mol PublicForked from jensengroup/xyz2mol
Converts an xyz file to an RDKit mol object
Python
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cif2cell
cif2cell PublicForked from torbjornbjorkman/cif2cell
Generating geometries for electronic structure calculations from CIF files.
Python
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cosymlib
cosymlib PublicForked from GrupEstructuraElectronicaSimetria/cosymlib
Documentation
Python
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JMolColors
JMolColors PublicForked from CorySimon/JMolColors
RGB color tuples and hex color codes used for atom colors in JMol and VisIt
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ai4chem_course
ai4chem_course PublicForked from schwallergroup/ai4chem_course
EPFL CH-457 "AI for chemistry"
Jupyter Notebook
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