hesther / templatecorr

Hierarchical template correction for chemical reactions

BSD 3-Clause "New" or "Revised" License

14 stars 6 forks source link

Closed hesther closed 2 years ago

hesther commented 2 years ago

Description

Added options to change the radius and presence of special groups for the template-relevance drop-in files

codecov[bot] commented 2 years ago

Merging #6 (ec62862) into main (f7f99e5) will decrease coverage by 0.37%. The diff coverage is 3.03%.