Pinned Loading

1. SSTMap SSTMap Public

   Forked from KurtzmanLab/SSTMap

   Solvation Structure and Thermodynamic Mapping

   Python

2. sstmap_test_suite sstmap_test_suite Public

   Forked from KurtzmanLab/sstmap_test_suite

   Test systems for SSTMap

   Python

3. pymcce pymcce Public

   A suite of tools to analyze Monte Carlo simulations generated from MCCE.

   Python 2

4. ProtonHopping ProtonHopping Public

   Data and code for Proton Hopping project

   Smarty

5. bbbp_ml_study bbbp_ml_study Public

   Application of machine learning methods on blood brain barrier prediction (BBBP) dataset

   Jupyter Notebook

6. toyNN toyNN Public

   A bare-bones library for implementing basic deep learning neural networks

   Python