Popular repositories Loading

1. qsar-models qsar-models Public

   Data and regression models for QSAR

   HTML 6 3

2. OPLRAreg OPLRAreg Public

   Mixed Integer Piecewise Regression Algorithm with Regularisation

   Python 5

3. qsar-tutorial qsar-tutorial Public

   QSAR Tutorial - Obtaining data from ChEMBL and playing around with RDKit

   Jupyter Notebook 4 1

4. Optimisation-based-Modelling-for-Explainable-Lead-Discovery-in-Malaria Optimisation-based-Modelling-for-Explainable-Lead-Discovery-in-Malaria Public

   Forked from yutongLi1997/Optimisation-based-Modelling-for-Explainable-Lead-Discovery-in-Malaria

   Jupyter Notebook 1

5. modSAR modSAR Public

   Source code for the paper Cardoso-Silva, J., Papageorgiou, L. G. & Tsoka, S. (2019) Network-based piecewise linear regression for QSAR modelling. http://link.springer.com/10.1007/s10822-019-00228-6

   Jupyter Notebook 1

6. coxae coxae Public

   Forked from phcavelar/coxae

   Jupyter Notebook