ontox-project's repositories
cddd
Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.
Language:PythonMIT000
Language:R000
Language:Jupyter NotebookCC0-1.0000
graph_ml
Projects that involve graph datasets
Language:Jupyter Notebook000
MIE_QSAR
Implementation of Quantitative-Strucure activity relationship (QSAR) models predicting chemicals bioactivity towards proteins associated to molecular initiating events (MIE) of hepatic steatosis, cholestasis, cognitive functional defects, neural tube closure and kidney failure.
MIT000
SummerImmersion
The contents for "A Hands-on Practical Demonstration on Using AI for Chemical Risk Assessment" Summer Immersion at the Grand Hyatt, Wahington D.C. 30th of May to 2nd of July, 2024
Language:JavaScriptCC-BY-4.0000