Skip to content

Commit

Permalink
docs: update deepmd-gnn URL (#4482)
Browse files Browse the repository at this point in the history
<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

- **Documentation**
- Updated guidelines for creating and integrating new models in the
DeePMD-kit framework.
- Added new sections on descriptors, fitting networks, and model
requirements.
	- Enhanced unit testing section with instructions for regression tests.
- Updated URL for the DeePMD-GNN plugin to reflect new repository
location.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

Signed-off-by: Jinzhe Zeng <[email protected]>
  • Loading branch information
njzjz authored Dec 22, 2024
1 parent c24498b commit 250c907
Show file tree
Hide file tree
Showing 2 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion doc/development/create-a-model-pt.md
Original file line number Diff line number Diff line change
Expand Up @@ -180,7 +180,7 @@ The arguments here should be consistent with the class arguments of your new com
## Package new codes

You may package new codes into a new Python package if you don't want to contribute it to the main DeePMD-kit repository.
A good example is [DeePMD-GNN](https://github.com/njzjz/deepmd-gnn).
A good example is [DeePMD-GNN](https://gitlab.com/RutgersLBSR/deepmd-gnn).
It's crucial to add your new component to `project.entry-points."deepmd.pt"` in `pyproject.toml`:

```toml
Expand Down
2 changes: 1 addition & 1 deletion doc/third-party/out-of-deepmd-kit.md
Original file line number Diff line number Diff line change
Expand Up @@ -6,7 +6,7 @@ The codes of the following interfaces are not a part of the DeePMD-kit package a

### External GNN models (MACE/NequIP)

[DeePMD-GNN](https://github.com/njzjz/deepmd-gnn) is DeePMD-kit plugin for various graph neural network (GNN) models.
[DeePMD-GNN](https://gitlab.com/RutgersLBSR/deepmd-gnn) is DeePMD-kit plugin for various graph neural network (GNN) models.
It has interfaced with [MACE](https://github.com/ACEsuit/mace) (PyTorch version) and [NequIP](https://github.com/mir-group/nequip) (PyTorch version).
It is also the first example to the DeePMD-kit [plugin mechanism](../development/create-a-model-pt.md#package-new-codes).

Expand Down

0 comments on commit 250c907

Please sign in to comment.