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Forked from Shujian2015/FreeML
Data Science Resources (Mostly Free)
Forked from materialsproject/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
Forked from materialsproject/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
50 contributions in the last year
Created a pull request in materialsproject/pymatgen that received 23 comments
The user now can set a criteria to remove atoms if the atoms are too close with each other. This function is very useful for tilt GB generation.