chemfiles chemfiles-356
chemfiles chemfiles-356: a task in LegoFlow-SWE (Harbor dataset). Is your feature request related to a problem? Please describe. chemfiles currently cannot read or write Crystallographic Information Format (CIF) files, which are widely used in crystallography to store unit cell parameters, atomic…
The task
**Is your feature request related to a problem? Please describe.** chemfiles currently cannot read or write Crystallographic Information Format (CIF) files, which are widely used in crystallography to store unit cell parameters, atomic coordinates, and other metadata. Users working with crystallographic data need a…
Part of Lego-X/LegoFlow-SWE.