Popular repositories Loading

1. conformal conformal Public

   Conformal prediction in R

   R 31 7

2. bioalerts bioalerts Public

   Derivation of structural alerts from bioactivity data sets

   Jupyter Notebook 29 10

3. RDkitTutorial RDkitTutorial Public

   Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive modeling

   Python 14 4

4. kekulescope kekulescope Public

   Code for KekuleScope

   Python 11 9

5. FingerprintCalculator FingerprintCalculator Public

   Morgan Fingerprint Calculator

   Python 4 2

6. SOMcpp SOMcpp Public

   SOM algorithm in C++

   C++ 2 1