A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
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Updated
Sep 5, 2024 - Jupyter Notebook
A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
A high-quality hand-curated logD7.4 dataset of 1,130 compounds
QSPR-based machine learning for fuel property prediction
Fast Molecular Property Prediction with mordredcommunity
Application for detecting functional groups of a molecules.
A package to perform fingerprints from spectroscopy datas.
ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks.
A new python package to visualize molecules in dots hover
Workflows for prediction of inhalation toxicokinetics from chemical structure including the individual steps in the training and optimization of QSPR models, model selection and prediction of partition coefficients, applicability domain and toxicokinetics profile.
Band Gap Prediction for low-dimensional antimony(III) and bismuth(III) halides with 1D-anions.
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