Pinned Repositories
3D_Printing_Molecules
Eta-ML
Eta_Scripts
Tools for enhancing efficiency of computational chemistry workflows.
geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
patent-reaction-extraction
Text mining of chemical reactions
pyqcprot
Python implementation of the fast rmsd and optimal rotation matrix method by Douglas Theobald and Pu Liu
QuatfitPy
Slic3r
G-code generator for 3D printers (RepRap, Makerbot, Ultimaker etc.)
tjmustard.github.io
VirusCurves
tjmustard's Repositories
tjmustard/Eta_Scripts
Tools for enhancing efficiency of computational chemistry workflows.
tjmustard/3D_Printing_Molecules
tjmustard/Eta-ML
tjmustard/geomeTRIC
Geometry optimization code that includes the TRIC coordinate system
tjmustard/patent-reaction-extraction
Text mining of chemical reactions
tjmustard/pyqcprot
Python implementation of the fast rmsd and optimal rotation matrix method by Douglas Theobald and Pu Liu
tjmustard/QuatfitPy
tjmustard/Slic3r
G-code generator for 3D printers (RepRap, Makerbot, Ultimaker etc.)
tjmustard/tjmustard.github.io
tjmustard/VirusCurves
tjmustard/XYZtoZMAT
Converts XYZ files to Z-matrix