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

Enhancement Request: Allow Adding New Elements when Fine-Tuning with --init-model #218

Open
Franklalalala opened this issue Nov 7, 2024 · 0 comments

Comments

@Franklalalala
Copy link
Contributor

Background

It is a common approach to fine-tune a pre-trained AI model to related domain. e.g. transfer a QH9 pre-trained DPTB model to Li binded electrolyte molecules.

Image

When utilizing the --init-model setting in DPTB for fine-tuning, the current implementation does not support the introduction of new elements (e.g., Lithium - Li in the mentioned case). This limitation restricts the model's adaptability to novel chemical domains.

Describe the solution you'd like

add flag to allow the change of elements here

Additional Context

No response

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

No branches or pull requests

1 participant