predict.py

Recherche Data Gouv France 2026 Dataset Open access

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Authors: Pierre Llompart, Claire Minoletti, Gilles Marcou, A. Varnek
DOI: 10.57745/q6bmy2
Cited by: 0

Abstract

A script to use the OneADMET model for predicting all 1,533 endpoints for query molecules.

Publication details

Journal / source
Recherche Data Gouv France
Publication date
1 January 2026
Document type
Dataset