update documentation

app.py

@@ -404,7 +404,7 @@ def add_new_eval(
     except Exception as e:
         print(f"Error during submission: {e}")
         yield (
-            f"An error occurred, please open a discussion and indicate at what time you encountered the error.\n{e}"
+            f"An error occurred, please open a discussion/issue if you continue to have submission issues.\n{e}"
         )
 
 
@@ -534,7 +534,7 @@ def create_overview_dataframe(results_dfs: Dict[str, pd.DataFrame]) -> pd.DataFr
                     value = model_row.iloc[0][source_col]
                     rank = model_row.index[0]
                 else:
-                    value = ""
+                    value = np.nan
                     rank = df.shape[0]
                 overview_data[display_col].append(value)
                 model_rankings[model_entry].append(rank)
@@ -559,7 +559,7 @@ def create_submission_interface() -> Tuple[gr.components.Component, ...]:
     """
     Create the submission interface components.
     """
-    with gr.Accordion("Submit predictions"):
+    with gr.Accordion("Submit predictions for evaluation"):
         with gr.Row():
             gr.Markdown(SUBMISSION_TEXT, elem_classes="markdown-text")
         with gr.Row():

content.py

@@ -3,47 +3,78 @@ TITLE = """<h1 align="center" id="space-title">FAIR Chemistry Leaderboard</h1>""
 
 # Main introduction text
 INTRODUCTION_TEXT = """
-## Welcome!
+# Welcome to the FAIR Chemistry Leaderboard! 🧪
 
-This space will host the FAIR Chemistry team's series of leaderboards across the different chemical domains, e.g. molecules, catalysts, materials.
-Leaderboards previously hosted on EvalAI ([OC20](https://eval.ai/web/challenges/challenge-page/712/overview)) will also be migrated here in the future.
+This space hosts comprehensive leaderboards across different chemical domains including molecules, catalysts, and materials.
 
+*Note: Leaderboards previously hosted on EvalAI (such as [OC20](https://eval.ai/web/challenges/challenge-page/712/overview)) will be migrated here in the future.*
 
-### 🧬 OMol25
-This leaderboard showcases the performance of various machine learning interatomic potentials (MLIP) on the Open Molecules 2025 (OMol25) dataset.
-OMol25 represents a diverse, high-quality dataset uniquely blending elemental, chemical, and structural diversity.
+## 🧬 OMol25
 
-For more details about the dataset and evaluation metrics, please refer to our [paper](https://arxiv.org/pdf/2505.08762).
+This leaderboard evaluates performance on the **Open Molecules 2025 (OMol25)** dataset—a diverse, high-quality collection that uniquely combines elemental, chemical, and structural diversity.
 
-#### Evaluation Categories:
-- **S2EF (Structure to Energy and Forces)**: Test and Validation splits across different molecular categories
-- **Specialized Evaluations**: Practically relevant chemistry tasks to evaluate models beyond just S2EF metrics (i.e. ligand-strain, spin gap, etc.)
+📖 **Learn more:** [OMol25 Paper](https://arxiv.org/pdf/2505.08762)
 
-For details on how to generate prediction files for submission, please refer to the documentation provided [here](https://fair-chem.github.io/molecules/leaderboard.html).
+### Benchmarks
+
+**S2EF (Structure to Energy and Forces)**
+- Test and validation sets across different molecular categories
+
+**Evaluations.** Downstream chemistry tasks that evaluate practical applications:
+- **Ligand Pocket:** Protein-ligand interaction energy as a proxy for binding energy
+- **Ligand Strain:** Ligand-strain energy crucial for understanding protein-ligand binding
+- **Conformers:** Identifying the lowest energy conformer
+- **Protonation:** Energy differences between protonated structures (proxy for pKa prediction)
+- **IE/EA:** Ionization energy and electron affinity
+- **Distance Scaling:** Short and long range intermolecular interactions
+- **Spin Gap:** Energy differences between varying spin states
+
+## 📋 Getting Started
+
+Ready to submit your model? Check out our steps for running benchmarks and generating prediction files:
+
+🔗 **[Submission Documentation](https://fair-chem.github.io/molecules/leaderboard.html)**
 """
 
 # Submission instructions
 SUBMISSION_TEXT = """
 ## How to Submit
 
-To submit your model predictions:
+### To submit your model predictions:
+<div style="background-color: #f8f9fa; padding: 20px; border-radius: 8px; margin: 20px 0;">
+
+**📝 Step 1:** Generate prediction files for the appropriate task (see [here](https://fair-chem.github.io/molecules/leaderboard.html) for details)
+
+**🔐 Step 2:** Sign in with Hugging Face
+
+**📋 Step 3:** Fill in the submission metadata (name, organization, contact info, etc.)
+
+**🎯 Step 4:** Select the evaluation type that matches your prediction file
+
+**📤 Step 5:** Upload your file and click Submit Eval
+
+**⏱️ Step 6:** Wait for the evaluation to complete and see the "✅" message in the Status bar
+
+</div>
+
+<div style="background-color: #e8f4fd; padding: 15px; border-left: 4px solid #2196F3; margin: 20px 0;">
 
-1. **Prepare your predictions** in the required format (NPZ for S2EF tasks, JSON for other evaluations)
-2. **Fill in the model information** including name, organization, and contact details
-3. **Select the evaluation type** that matches your prediction file
-4. **Upload your file** and click Submit
+**📊 Submission Limits:** Users are limited to **5 successful submissions per month** for each evaluation type.
 
-Users are limited to 5 successful submissions per month for each evaluation type.
+</div>
 
-**Important Notes:**
-- Ensure your prediction file format matches the expected format for the selected evaluation
-- Your email will be stored privately and only used for communication regarding your submission
-- Results will appear on the leaderboard after successful validation
-- Remain on the page until you see the "Success" message. Evaluations can take several minutes, please be patient.
-- If you wish to have your model removed from the leaderboard please reach out to mshuaibi@meta.com with the model name and submission date. 
+### ⚠️ Important Notes:
+- ✅ **File Format:** Ensure your prediction file format matches the expected format for the selected evaluation (.npz for S2EF and .json for Evaluations)
+- 🔐 **Privacy:** Your email will be stored privately and only used for communication regarding your submission  
+- 📈 **Results:** Results will appear on the leaderboard after successful validation
+- ⏱️ **Wait Time:** Remain on the page until you see the "Success" message. Evaluations can take several minutes, please be patient
+- 🗑️ **Removal:** If you wish to have your model removed from the leaderboard, please reach out to mshuaibi@meta.com with the model name and submission date
 
-This leaderboard is actively being developed and we are always open to feedback. If you run into any issues or have a question please
-reach out to us at our Github [page](https://github.com/facebookresearch/fairchem) or the [leaderboard discussion forum](https://huggingface.co/spaces/facebook/fairchem_leaderboard/discussions).
+### 💬 Need Help?   
+This leaderboard is actively being developed and we welcome any feedback and contributions!
+**📞 Contact us:**
+- 🔗 [GitHub Issues](https://github.com/facebookresearch/fairchem) 
+- 💬 [Discussion Forum](https://huggingface.co/spaces/facebook/fairchem_leaderboard/discussions)
 """
 
 # Citation information