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keiserlab
e3fp

3D molecular fingerprints

21K 142 34
napoles-uach
stmol

This is the repository for the Stmol project, a Streamlit component that uses py3Dmol to render molecules.

8K 211 37
dftlibs
numgrid

Numerical integration grid for molecules.

1K 50 14
bradyajohnston
molecularnodes

Toolbox for molecular animations in Blender, powered by Geometry Nodes.

1K 1K 121
tommysisk
writhe-tools

A high-performance Python package for computing the geometric descriptor writhe from 3D coordinate data.

819 22 12
sunghunbae
desmondtools

Tools for Desmond molecular dynamics

287 0 0
edahelsinki
xiplot

Web-first Visualisation platform for Multidimensional Data

178 19 2
edahelsinki
xiplot-filetypes

Web-first Visualisation platform for Multidimensional Data

55 19 2