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.

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

from_smiles descriptors are returned in the same order as input SMILES #21

Merged
merged 1 commit into from
Apr 13, 2021

Conversation

sebastiandro
Copy link

This is an update for issue #20 that I created yesterday. It changes the default behaviour of from_smiles to return the molecular descriptors in the same order as the input SMILES strings.

Best,
Sebastian

Verified

This commit was signed with the committer’s verified signature.
rogercoll Roger Coll
…nput smiles
@tjkessler tjkessler self-assigned this Apr 13, 2021
@tjkessler tjkessler added the enhancement New feature or request label Apr 13, 2021
@tjkessler tjkessler merged commit dedafa8 into ecrl:master Apr 13, 2021
@tjkessler
Copy link
Member

I overlooked that argument, nice catch!

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
enhancement New feature or request
Projects
None yet
Development

Successfully merging this pull request may close these issues.

None yet

2 participants