atom-architect
Visualization and building tool for electronic structure calculations — reads VASP POSCAR/OUTCAR files and renders atomic structures in 3D.
vasp
visualization
materials-modelling
View on GitHubTheme
Scientific Visualization
Visualization and design tools for molecular structures, heterogeneous catalysis surfaces, electron density, and scientific geometry.
Story
This theme turns scientific data into structures people can inspect and build with. The emphasis is practical understanding: visual tools for exploring molecules, constructing surfaces, converting grids into geometry, and sharing models in a clearer form.
Projects in This Theme
Open filtered indexmanaglyph
Stereographic rendering program for atomic systems — generate red-cyan anaglyph images of molecules and crystal surfaces.
3d-graphics
anaglyph-image
molecular-modeling
View on GitHubedp
Electron Density Plotter — render VASP CHGCAR/LOCPOT electron density maps as publication-quality images with flexible color schemes.
electron-density
vasp
visualization
View on GitHubden2obj
Converts VASP density files (CHGCAR/LOCPOT) to mesh isosurfaces via the marching cubes algorithm — outputs Wavefront OBJ or OpenVDB.
isosurface
marching-cubes
electron-density
vasp
View on GitHubpytessel
Python package for tessellating 3D scalar fields into isosurfaces using the marching cubes algorithm. Fast C++ backend, Python interface.
isosurface
marching-cubes
tesselation
View on GitHubbramble
Common Neighbor Analysis tool for identifying crystal structure environments in molecular dynamics trajectories.
cna
common-neighbor-analysis
materials-science
View on GitHubden2bin
Converts VASP CHGCAR/LOCPOT density files to compact binary format for faster downstream processing and visualization.
electron-density
vasp
View on GitHubpymodia
Python package for visualizing molecular orbital diagrams — generate publication-ready MO diagrams from electronic structure data.
molecular-orbital
mo-diagram
quantum-chemistry
View on GitHub