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1. chemosim-lab/ProLIF chemosim-lab/ProLIF Public

   Interaction Fingerprints for protein-ligand complexes and more

   Python 460 87

2. mols2grid mols2grid Public

   Interactive molecule viewer for 2D structures

   Python 240 33

3. bokehmol bokehmol Public

   Bokeh extensions to plot molecules easily

   HTML 10 2

4. DashMD DashMD Public

   Real time monitoring and visualization of Amber MD simulations

   Python 16 5

5. molhighlighter molhighlighter Public

   Multicolored substructure highlights made easy

   Jupyter Notebook 9 2

6. MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

   MDAnalysis is a Python library to analyze molecular dynamics simulations.

   Python 1.5k 758