Update README.md
Browse files
README.md
CHANGED
|
@@ -7,4 +7,22 @@ sdk: static
|
|
| 7 |
pinned: false
|
| 8 |
---
|
| 9 |
|
| 10 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 7 |
pinned: false
|
| 8 |
---
|
| 9 |
|
| 10 |
+
# About Us
|
| 11 |
+
|
| 12 |
+
We are the Unit of Process Control and Informatics at the School of Chemical Engineering, NTUA. Our work focuses on machine learning tools for scientific and regulatory applications.
|
| 13 |
+
|
| 14 |
+
# Projects
|
| 15 |
+
|
| 16 |
+
- Jaqpot: A platform for uploading and deploying predictive models. Supports ONNX, Scikit-learn, and PyTorch Geometric models. Used for chemical safety and property prediction.
|
| 17 |
+
- Pyrosage: A project focused on designing safer chemicals using QSAR data for toxicity, mutagenicity, and environmental safety.
|
| 18 |
+
- QSAR Toolbox Integration: Python tools for accessing the QSAR Toolbox to fill data gaps in toxicity prediction.
|
| 19 |
+
|
| 20 |
+
# Technologies
|
| 21 |
+
|
| 22 |
+
- ONNX
|
| 23 |
+
- Scikit-learn
|
| 24 |
+
- PyTorch
|
| 25 |
+
- Spring Boot / Next.js
|
| 26 |
+
- Keycloak for user and role management
|
| 27 |
+
|
| 28 |
+
We share models, datasets, and tools aimed at reproducibility and openness in computational science.
|