cyrusyc commited on
Commit
c0411f7
1 Parent(s): 962fb76

draft contribute readme

Browse files
Files changed (1) hide show
  1. README.md +26 -1
README.md CHANGED
@@ -1 +1,26 @@
1
- # mlip-arena
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ # mlip-arena
2
+
3
+ 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.
4
+
5
+ ## Contribute
6
+
7
+ ### Add new MLIP models
8
+
9
+ If you have pretrained MLIP models that you would like to contribute to the MLIP Arena and show benchmark in real-time, please follow these steps:
10
+
11
+ 1. Create a new [Hugging Face Model](https://huggingface.co/new) repository and upload the model file.
12
+ 2. Follow the template to code the I/O interface for your model, and upload the script along with metadata to the MLIP Arena [here]().
13
+ 3. 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.
14
+
15
+ ### Add new benchmarks
16
+
17
+ #### Molecular dynamics calculations
18
+
19
+
20
+ #### Single-point density functional theory calculations
21
+
22
+ ### Add new training datasets
23
+
24
+ [Hugging Face Auto-Train](https://huggingface.co/docs/hub/webhooks-guide-auto-retrain)
25
+
26
+