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

Quantifying the diversity of selcted subset #56

Closed
FanwangM opened this issue Apr 8, 2022 · 4 comments
Closed

Quantifying the diversity of selcted subset #56

FanwangM opened this issue Apr 8, 2022 · 4 comments
Assignees
@RichRick1
Labels
feature

Comments

@FanwangM
Copy link
Collaborator

FanwangM commented Apr 8, 2022

We will add the functionality to support measuring the subset diversity.
@FanwangM
Copy link
Collaborator Author

FanwangM commented Apr 8, 2022

This relates to #4.

@FanwangM
Copy link
Collaborator Author

https://github.com/theochem/DiverseSelector/blob/a77b7f6f0dbd1162d02e057a997343a5be499f6b/DiverseSelector/base.py#L113-L136.

@RichRick1
Copy link
Collaborator

@fwmeng88 do you want to use the function total_diversity_volume from the metrics.py as shown in the demo notebook, or use some other method?

@FanwangM
Copy link
Collaborator Author

We will need to provide people the functionality to select functions that have been implemented, entropy, explicit_diversity_index, logdet, shannon_entropy, wdud and total_diversity_volume, #65.

I will build a wrapper function soon and you can finish this functionality once my code is merged. @RichRick1

@FarnazH FarnazH closed this as completed May 19, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@RichRick1 RichRick1

Labels
feature
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
3 participants
@FarnazH @FanwangM @RichRick1