Pinned Loading

1. scikit-mol scikit-mol Public

   scikit-learn classes for molecular vectorization using RDKit

   Python 204 32

2. rdeditor rdeditor Public

   Simple RDKit molecule editor GUI using PySide

   Python 180 38

3. SMILES-enumeration SMILES-enumeration Public

   SMILES enumeration for QSAR modelling using LSTM recurrent neural networks

   Python 249 75

4. pdchemchain pdchemchain Public

   Rapid construction of chemical pipelines in interactive notebooks and cli usage

   Python 14

5. RandomNets RandomNets Public

   Jupyter Notebook 8 1

6. molll molll Public

   Data Driven Estimation of Molecular Log-Likelihood using Fingerprint Key Counting

   Python 5