From dc44386db6deb10b00434d4bc827e6ee2974646a Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Sat, 21 Dec 2024 05:51:49 -0500 Subject: [PATCH] docs: update deepmd-gnn URL Signed-off-by: Jinzhe Zeng --- doc/development/create-a-model-pt.md | 2 +- doc/third-party/out-of-deepmd-kit.md | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/doc/development/create-a-model-pt.md b/doc/development/create-a-model-pt.md index 08528cc5f6..7eb75b7026 100644 --- a/doc/development/create-a-model-pt.md +++ b/doc/development/create-a-model-pt.md @@ -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 diff --git a/doc/third-party/out-of-deepmd-kit.md b/doc/third-party/out-of-deepmd-kit.md index 12ae5842c7..a04ba9741b 100644 --- a/doc/third-party/out-of-deepmd-kit.md +++ b/doc/third-party/out-of-deepmd-kit.md @@ -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).