3d-plot atomic-coordinates chemical-structures chemistry chemoinformatics computational-chemistry data-visualization molecular-graph molecular-modeling molecule molecule-visualization networkx plotly scientific-computing xyz-files xyz-reader

3d-plot biplot explained-variance hotelling-t2 outliers pca principal-component-analysis

3d-plot computational-chemistry data data-analysis data-fitting data-manipulation data-visualization dataset electron-app electronjs fitting graph graphical griddata plotting regression-analysis smoothing snap surface-plot