avogadro2

Here are 4 public repositories matching this topic...

DrWXB / CrystalScopeX-Releases

ARM64-native molecular and crystal-structure visualization app with small-molecule crystallographic refinement and support for CIF, XYZ, and SHELX-format files, designed for macOS on Apple silicon.

visualization chemistry molecule crystallography computational-chemistry cif crystal-structure orca organic-chemistry shelxl molecular-visualization inorganic-chemistry molecular-viewer avogadro2 shelx shelxle cif-viewer crystal-viewer

Updated Sep 2, 2026

exergonic / avo_vbvis

Star

An Avogadro 2 plugin to visualize valence orbitals, hybridization, and bonding overlaps.

computational-chemistry pixi python-plugin vsepr avogadro2 valence-bond-theory

Updated Jun 18, 2026
Python

SebRoLENS / orca-ped-analyzer

Star

Potential energy distribution (PED), vibrational-mode assignment and VPT2/IR analysis from ORCA Hessian outputs.

python dft python-script python3 computational-chemistry quantum-chemistry avogadro normal-modes vibrational-analysis normal-mode-analysis vibrational-spectroscopy infrared-spectroscopy dft-calculations normal-mode-sampling avogadro2 vpt2 gvpt2 potential-energy-distribution

Updated Aug 31, 2026
Python

exergonic / avo_ibo

Star

Avogadro 2 plugin + CLI for computing Intrinsic Bond Orbitals (IBOs) via Psi4

computational-chemistry pixi quantum-chemistry psi4 iao ibo avogadro2 avogadro-plugin intrinsic-bond-orbitals pipek-mezey

Updated Sep 4, 2026
Python

Add this topic to your repo

To associate your repository with the avogadro2 topic, visit your repo's landing page and select "manage topics."

Learn more