Skip to content

Commit

Permalink
rearrange readme
Browse files Browse the repository at this point in the history
  • Loading branch information
chiang-yuan committed Sep 11, 2024
1 parent d309ef8 commit 975c8f2
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions .github/README.md
Original file line number Diff line number Diff line change
Expand Up @@ -26,14 +26,16 @@ If you have pretrained MLIP models that you would like to contribute to the MLIP
2. Follow the template to code the I/O interface for your model [here](../mlip_arena/models/README.md).
3. Update model [registry](../mlip_arena/models/registry.yaml) with metadata

> [!NOTE] CPU benchmarking will be performed automatically. Due to the limited amount GPU compute, if you would like to be considered for GPU benchmarking, please create a pull request to demonstrate the offline performance of your model (published paper or preprint). We will review and select the models to be benchmarked on GPU.
> [!NOTE]
> CPU benchmarking will be performed automatically. Due to the limited amount GPU compute, if you would like to be considered for GPU benchmarking, please create a pull request to demonstrate the offline performance of your model (published paper or preprint). We will review and select the models to be benchmarked on GPU.
#### External ASE Calculator (easy)

1. Implement new ASE Calculator class in [mlip_arena/models/external.py](../mlip_arena/models/externals.py).
2. Name your class with awesome model name and add the same name to [registry](../mlip_arena/models/registry.yaml) with metadata.

> [!CAUTION] Remove unneccessary outputs under `results` class attributes to avoid error for MD simulations. Please refer to other class definition for example.
> [!CAUTION]
> Remove unneccessary outputs under `results` class attributes to avoid error for MD simulations. Please refer to other class definition for example.
### Add new benchmark tasks

Expand Down

0 comments on commit 975c8f2

Please sign in to comment.