qspr
Here are 13 public repositories matching this topic...
-
Updated
Nov 20, 2023 - Python
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.
-
Updated
Mar 14, 2018 - R
ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks.
-
Updated
Aug 21, 2024 - Python
Band Gap Prediction for low-dimensional antimony(III) and bismuth(III) halides with 1D-anions.
-
Updated
Jun 18, 2023 - Jupyter Notebook
A new python package to visualize molecules in dots hover
-
Updated
Feb 15, 2024 - Jupyter Notebook
A package to perform fingerprints from spectroscopy datas.
-
Updated
Jul 25, 2024 - Jupyter Notebook
Fast Molecular Property Prediction with mordredcommunity
-
Updated
Aug 13, 2024 - Python
Application for detecting functional groups of a molecules.
-
Updated
Jul 17, 2023 - Python
QSPR-based machine learning for fuel property prediction
-
Updated
Aug 29, 2024 - Python
A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
-
Updated
Sep 5, 2024 - Jupyter Notebook
A high-quality hand-curated logD7.4 dataset of 1,130 compounds
-
Updated
Nov 23, 2017
Improve this page
Add a description, image, and links to the qspr topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the qspr topic, visit your repo's landing page and select "manage topics."