phi-grib Goto Github PK
Name: Phi GRIB
Type: Organization
Bio: PharmacoInformatics laboratory at GRIB (UPF)
Location: Barcelona
Blog: http://phi.upf.edu
Name: Phi GRIB
Type: Organization
Bio: PharmacoInformatics laboratory at GRIB (UPF)
Location: Barcelona
Blog: http://phi.upf.edu
Collector is a tool that allows extracting from the Open PHACTS Discovery platform series of compounds annotated with experimental data that can be used directly for building QSAR predictive models
Wokflow intended to download data from ChEMBL and prepare it for modelling in Flame
Python code for handling data curation: SMILES of problematic molecules, dataset selection, train and test split.
Jupyter notebook for Endocrine Disruptor Read Accross
EPA code for CAS structure resolution
eTOX RDT extraction tool
eTOXvault ws RESTful API
eTOXlab web service
eTOXlab web service RESTful API
Modeling framework for eTRANSAFE project
Backend flame web service
Bash scripts for installing Flame and miniconda
Web service interface to manage flame models
Angular frontend for flame
Angular frontend for flame
Codes used to generate the DB and replicate USC workflow
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