Popular repositories Loading

1. MSSQL_flask_bokeh MSSQL_flask_bokeh Public

   Python 1

2. padel_robust padel_robust Public

   PaDEL-robust: A robust version of Python wrapper for PaDEL-Descriptor software

   Python

3. pkspec_streamlit pkspec_streamlit Public

   App for pK spectroscopy.

   Python

4. kPOD kPOD Public

   Forked from hfung4/kPOD

   This Python package implements an extension to the k-means clustering algorithm for use with missing data.

   Python

5. stoned-selfies stoned-selfies Public

   Forked from dwillhelm/stoned-selfies

   This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES

   Jupyter Notebook