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update leaderbord, readme, longer traj
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chiang-yuan committed Sep 28, 2024
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9 changes: 8 additions & 1 deletion .github/README.md
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<div align="center">
<h1>MLIP Arena</h1>
<a href="https://zenodo.org/doi/10.5281/zenodo.13704399"><img src="https://zenodo.org/badge/776930320.svg" alt="DOI"></a>
<a href="https://huggingface.co/spaces/atomind/mlip-arena"><img src="https://huggingface.co/datasets/huggingface/brand-assets/resolve/main/hf-logo-with-title.svg" style="height: 20px; background-color: white;" alt="Hugging Face"></a>
</div>

> [!CAUTION]
> MLIP Arena is currently in pre-alpha. The results are not stable. Please intepret them with care.
> [!NOTE]
> If you're interested in joining the effort, please reach out to Yuan at [[email protected]](mailto:[email protected]). See [project page](https://github.com/orgs/atomind-ai/projects/1) for some outstanding tasks.
> If you're interested in joining the effort, please reach out to Yuan at [[email protected]](mailto:[email protected]).
MLIP Arena is an open-source platform for benchmarking machine learning interatomic potentials (MLIPs). The platform provides a unified interface for users to evaluate the performance of their models on a variety of tasks, including single-point density functional theory calculations and molecular dynamics simulations. The platform is designed to be extensible, allowing users to contribute new models, benchmarks, and training data to the platform.

## Contribute

MLIP Arena is now in pre-alpha. If you're interested in joining the effort, please reach out to Yuan at [[email protected]](mailto:[email protected]). See [project page](https://github.com/orgs/atomind-ai/projects/1) for some outstanding tasks.

### Development

```
streamlit run serva/app.py
```

### Add new MLIP models

If you have pretrained MLIP models that you would like to contribute to the MLIP Arena and show benchmark in real-time, there are two ways:
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2 changes: 1 addition & 1 deletion pyproject.toml
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]
description=""
readme="README.md"
requires-python=">=3.8"
requires-python=">=3.10"
keywords=[
"pytorch",
"machine-learning-interatomic-potentials",
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13 changes: 7 additions & 6 deletions serve/leaderboard.py
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# Call the function from the imported module
if hasattr(task_module, "render"):
task_module.render()
st.page_link(
f"tasks/{TASKS[task]['task-page']}.py",
label="Task page",
icon=":material/link:",
)
# if st.button(f"Go to task page"):
# st.switch_page(f"tasks/{TASKS[task]['task-page']}.py")
else:
st.write("Results for the task are not available yet.")
st.write("Rank metrics are not available yet but the task has been implemented. Please see the following task page for more information.")

st.page_link(
f"tasks/{TASKS[task]['task-page']}.py",
label="Task page",
icon=":material/link:",
)

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