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

Create unimol+ embeddings #208

Open
maxime-duchateau opened this issue Mar 11, 2024 · 1 comment
Open

Create unimol+ embeddings #208

maxime-duchateau opened this issue Mar 11, 2024 · 1 comment

Comments

@maxime-duchateau
Copy link

I am trying to create unimol+ embeddings from a SMILES dataset. Is there a way to just infer this without having to train the model? how should I go about this?
Thank you so much in advance!
@emotionor
Copy link
Contributor

Sure! You can use UniMolRepr to get the embeddings.

You may kindly refer to the following Documents:Tutorial for usage instructions.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@emotionor @maxime-duchateau