Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Move SMARTS patterns to a .csv file #114

Open
wants to merge 4 commits into
base: master
Choose a base branch
from
Open

Move SMARTS patterns to a .csv file #114

wants to merge 4 commits into from

Commits on Aug 6, 2024

  1. add dataset documenting SMARTS strings and other functions used

    @Aariq
    Aariq committed Aug 6, 2024
    Configuration menu
    Copy the full SHA
    63e8a6d View commit details
    Browse the repository at this point in the history

  2. define SMARTS patterns in internal dataset rather than in get_fx_grou… 

    …ps() code
    @Aariq
    Aariq committed Aug 6, 2024
    Configuration menu
    Copy the full SHA
    2d4e2d4 View commit details
    Browse the repository at this point in the history

  3. update NEWS

    @Aariq
    Aariq committed Aug 6, 2024
    Configuration menu
    Copy the full SHA
    1342f27 View commit details
    Browse the repository at this point in the history

Commits on Aug 13, 2024

  1. add functional group descriptions to data

    @Aariq
    Aariq committed Aug 13, 2024
    Configuration menu
    Copy the full SHA
    d6976c7 View commit details
    Browse the repository at this point in the history