mordred

There are 1 repository under mordred topic.

• AI4PFAS / AI4PFAS

  Dataset and code for "Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity"

  pfas-toxicityuncertainty-neural-networksselectivenetcheminformaticsartificial-intelligencedeep-ensemblemachine-learningld50gpflowpytorchtensorflow2mordredrdkitgnn
  Language:Jupyter Notebook 16

• mawansui / jnk3-predictor

  This is a repository for my JNK3 Inhibitor Predictor project. It contains all the source code for the data preparation, model training and server deploying steps.

  chemoinformaticsfastapijupytermordredpythonrdkitsklearntensorflow
  Language:Jupyter Notebook 2

• linc-ufpa-br / structure-analysis-BBB

  Calculation of peptide molecular descriptors.

  bioinformaticsmolecular-descriptorspeptidesrdkitmordred
  Language:Python 1