UPCI.NTUA
Unit of Process Control and Informatics, School of Chemical Engineering, NTUA, Athens, GR
Athens
Pinned Repositories
Diazepam-case-study
This repository contains code for the paper: "Population Pharmacokinetic Reanalysis of a Diazepam PBPK Model: A Comparison of Stan and GNU MCSim"
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.
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-frontend
The Jaqpot project's frontend app serves as the interactive gateway for users to engage with our predictive modeling platform.
jaqpotpy
Open-source Python client for deploying models and obtaining predictions via the Jaqpot API.
NanoSafety_Training_School_Venice_2022
This repository contains R code for the hands-on session of the " Where they go: environmental fate and exposure" session of the training school
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/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.
ntua-unit-of-control-and-informatics/quots
Quost api
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-google-colab-examples
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/.github
Profile readme
ntua-unit-of-control-and-informatics/D-PINNs
ntua-unit-of-control-and-informatics/github-actions
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-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-kotlin-sdk
ntua-unit-of-control-and-informatics/jaqpotpy-archived
Standardized molecular modeling
ntua-unit-of-control-and-informatics/jaqpotpy-inference-archived
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
This repository contains the finalized R client for jaqpot
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_mediated_drug_delivery
This repository contains code for the paper..
ntua-unit-of-control-and-informatics/PBK_Grouping
This repository contains the code for reproducing the results of Tsiros et al. (2023)
ntua-unit-of-control-and-informatics/PFAS_biokinetics_models
This repository contains code for developing biokinetics model for PFAS under the SCENARIOS H2020 project
ntua-unit-of-control-and-informatics/PFAS_PBK_models
This repository contains code for developing PBK model for PFAS under the SCENARIOS H2020 project