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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.
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# Projects
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- Jaqpot: A platform for uploading and deploying predictive models. Supports ONNX, Scikit-learn, and PyTorch Geometric models. Used for chemical safety and property prediction.
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- Pyrosage: A project focused on designing safer chemicals using QSAR data for toxicity, mutagenicity, and environmental safety.
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- QSAR Toolbox Integration: Python tools for accessing the QSAR Toolbox to fill data gaps in toxicity prediction.
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# Technologies
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- ONNX
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- Scikit-learn
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- PyTorch
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- Spring Boot / Next.js
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- Keycloak for user and role management
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We share models, datasets, and tools aimed at reproducibility and openness in computational science.
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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.
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We share models, datasets, and tools aimed at reproducibility and openness in computational science.
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