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logp

Here are 5 public repositories matching this topic...

silicos-it / qed

The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit

cheminformatics rdkit qed descriptors molecular-descriptors logp uamc gregory-gerebtzoff

Updated Dec 12, 2022
Python

ADicksonLab / ClassicalGSG

A new logP predictor method using GSG and NNs

neural-networks logp geommetric-scattering-for-graphs

Updated Oct 12, 2023
Python

lat-lukasz / logP_prediction

scrapping_logP_prediction

machine scrapping-python logp

Updated Sep 18, 2020
Jupyter Notebook

TUD-OS / flogsim

flogsim -- LogP-like network simulator

Updated Nov 6, 2019
C++

respectable-citizen / logp-prediction

LogP prediction using deep learning

machine-learning deep-learning neural-network pytorch logp

Updated Jun 25, 2023
Python

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