UPCI.NTUA
Unit of Process Control and Informatics, School of Chemical Engineering, NTUA, Athens, GR
Athens
Pinned Repositories
image-analysis
A web app that analyses microscopy nanomaterial images to provide calculated descriptors.
jaqpot-api
Open-source RESTful API for managing and deploying models, providing predictions via API, built with Spring Boot and Kotlin.
jaqpot-api-archived
JAQPOT Quattro is the 4th version of a YAQP, a RESTful web service which can be used to train machine learning models and use them to obtain toxicological predictions for given chemical compounds or engineered nano materials. The project is written in Java8 and JEE7.
jaqpot-e2e-tests
Automated end-to-end tests for the Jaqpot platform, using Playwright to validate UI interactions and core functionalities, ensuring platform reliability.
jaqpot-frontend
The Jaqpot project's frontend app serves as the interactive gateway for users to engage with our predictive modeling platform.
jaqpot-kotlin-sdk
jaqpot-Llama3.2-1B-Instruct
Llama3.2-1B-Instruct model
jaqpotpy
Open-source Python client for deploying models and obtaining predictions via the Jaqpot API.
public-models
This repository contains the code that is relevant to the training of the Jaqpot public models. These are 22 ML/AI models, trained on the data of the Therapeutics Data Commons ADME-Tox (ADMET) Benchmark group and are suitable for small molecule drug discovery.
quots-forked
Quots is a micro app that allows you to have a credit based system for resource management.
UPCI.NTUA's Repositories
ntua-unit-of-control-and-informatics/jaqpotpy
Open-source Python client for deploying models and obtaining predictions via the Jaqpot API.
ntua-unit-of-control-and-informatics/jaqpot-api-archived
JAQPOT Quattro is the 4th version of a YAQP, a RESTful web service which can be used to train machine learning models and use them to obtain toxicological predictions for given chemical compounds or engineered nano materials. The project is written in Java8 and JEE7.
ntua-unit-of-control-and-informatics/gnn-molecular-modelling
This repository contains code related to the automation of modeling efforts for the PINK project, focusing on training Graph Neural Networks (GNNs) for molecular property prediction from SMILES.
ntua-unit-of-control-and-informatics/jaqpot-api
Open-source RESTful API for managing and deploying models, providing predictions via API, built with Spring Boot and Kotlin.
ntua-unit-of-control-and-informatics/jaqpot-frontend
The Jaqpot project's frontend app serves as the interactive gateway for users to engage with our predictive modeling platform.
ntua-unit-of-control-and-informatics/jaqpot-site
The next.js repo for the landing page on jaqpot.org
ntua-unit-of-control-and-informatics/jaqpot-docs
ntua-unit-of-control-and-informatics/jaqpot-e2e-tests
Automated end-to-end tests for the Jaqpot platform, using Playwright to validate UI interactions and core functionalities, ensuring platform reliability.
ntua-unit-of-control-and-informatics/jaqpot-google-colab-examples
ntua-unit-of-control-and-informatics/jaqpot-kotlin-sdk
ntua-unit-of-control-and-informatics/jaqpot-Llama3.2-1B-Instruct
Llama3.2-1B-Instruct model
ntua-unit-of-control-and-informatics/jaqpotpy-inference
jaqpot-inference serves as a server for the jaqpotpy code, exposing it as an API.
ntua-unit-of-control-and-informatics/QSAR_PFAS
This model contains code and data for developing QSAR models in the SCENARIOS project
ntua-unit-of-control-and-informatics/gflownet
GFlowNet library specialized for graph & molecular data
ntua-unit-of-control-and-informatics/github-actions
ntua-unit-of-control-and-informatics/images
This is a repository of images
ntua-unit-of-control-and-informatics/jaqpot-api-client-python
ntua-unit-of-control-and-informatics/jaqpot-frontend-archived
Angular platform for crafting molecular models and providing predictions, enhancing research capabilities.
ntua-unit-of-control-and-informatics/jaqpot-keycloak
A keycloak with custom themes added
ntua-unit-of-control-and-informatics/jaqpot-model-with-docker-template
A template repository for deploying machine learning models on the Jaqpot platform using Docker containers. Fork this repository to create and deploy your own models on Jaqpot.
ntua-unit-of-control-and-informatics/jaqpot-python-sdk
ntua-unit-of-control-and-informatics/jaqpot-r-sdk
This repository contains the finalized R client for jaqpot
ntua-unit-of-control-and-informatics/jaqpotpy-torch-inference
Jaqpotpy Torch Inference is a web server designed to run pretrained PyTorch models and return inference results. This server provides a simple API to perform predictions using your pretrained models.
ntua-unit-of-control-and-informatics/jaqpotr-inference
ntua-unit-of-control-and-informatics/legacy-generic-python
ntua-unit-of-control-and-informatics/NM-biodistribution-prediction
This repository contains code for the diploma thesis of Alexandros Angelis
ntua-unit-of-control-and-informatics/NP-delivery-modelling
This repository contains code for the publication Tsiros et al. (2025).
ntua-unit-of-control-and-informatics/PBK_modelling_tools
This repository contains functions for developing, testing and validating PBK and other biokinetic models
ntua-unit-of-control-and-informatics/PFAS_PBK_models
This repository contains code for developing PBK model for PFAS under the SCENARIOS H2020 project
ntua-unit-of-control-and-informatics/pink-tsemo