add licensing

LICENSE

@@ -1,201 +1,407 @@
+Attribution-NonCommercial 4.0 International
 
-                              Prior Labs License
-                           Version 1.1, May 2025
-                       http://priorlabs.ai/tabpfn-license
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-   This license is a derivative of the Apache 2.0 license
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-   ---------------------- ADDITIONAL PROVISION --------------------------
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LICENSE_TABPFN

@@ -0,0 +1,201 @@
+
+                              Prior Labs License
+                           Version 1.1, May 2025
+                       http://priorlabs.ai/tabpfn-license
+
+   This license is a derivative of the Apache 2.0 license
+   (http://www.apache.org/licenses/) with a single modification:
+   The added Paragraph 10 introduces an enhanced attribution requirement
+   inspired by the Llama 3 license.
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+   TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION
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README.md

@@ -5,19 +5,21 @@ colorFrom: red
 colorTo: gray
 sdk: docker
 pinned: false
-license: apache-2.0
+license: cc-by-nc-4.0
 short_description: Tox21 TabPFN Classifier for Tox21
 ---
 
 # Tox21 TabPFN Classifier
 
-This repository hosts a Hugging Face Space that provides an examplary API for submitting models to the [Tox21 Leaderboard](https://huggingface.co/spaces/tschouis/tox21_leaderboard).
+This repository hosts a Hugging Face Space that provides an examplary API for submitting models to the [Tox21 Leaderboard](https://huggingface.co/spaces/tschouis/tox21_leaderboard). Built with PriorLabs-TabPFN
 
 In this example, we train a TabPFN classifier on the Tox21 targets and save the trained model in the `assets/` folder.
 
 **Important:** For leaderboard submission, your Space needs to implement inference in the `predict()` function inside `predict.py`. The `predict()` function must keep the provided skeleton: it should take a list of SMILES strings as input and return a prediction dictionary as output, with SMILES and targets as keys. Therefore, any preprocessing of SMILES strings must be executed on-the-fly during inference.
 
 # Repository Structure
+- `preprocess.py` - Preprocessing pipeline
+- `train.py` - Training script
 - `predict.py` - Defines the `predict()` function required by the leaderboard (entry point for inference).
 - `app.py` - FastAPI application wrapper (can be used as-is).
 
@@ -53,6 +55,14 @@ conda activate tox21_tabpfn_cls
 pip install -r requirements.txt
 ```
 
+# Preprocessing
+To preprocess the data, execute the following code:
+
+```bash
+wget -P ./data http://bioinf.jku.at/research/DeepTox/tox21_compoundData.csv
+python preprocess.py
+```
+
 # Training
 
 To fit the TabPFN model for the Tox21 dataset: