DeePTB Agent - #19
Merged
Merged
Conversation
pxlxingliang
approved these changes
Jun 20, 2025
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Currently Included Features
Generates configuration files for training the DeePTB deep learning model.
Parameters:
config_output_path: Path to save the output JSON configuration file.
material: Type of material (currently only supports "Si").
Extensibility via Decorators
You can now add your own functions using the @mcp.tool() decorator.
For example, frequently asked questions and answers from the user community can be encapsulated as callable tools. When DeepSeek encounters a similar query, it will automatically retrieve and return the corresponding answer.
Tutorials and practical examples can also be registered in the same way. When users ask related questions, DeepSeek will respond with the correct guidance by invoking the associated tool function.