A powerful desktop application for molecular visualization built with Electron and JSmol. Experience native performance with advanced 3D visualization capabilities across all platforms.
Everything you need to visualize, edit, and analyze molecular structures.
High-quality, interactive 3D rendering of molecules with multiple display styles (ball & stick, spacefill, etc.).
Learn More →Directly search and load molecules from the PubChem database by name, formula, or ID.
Learn More →Create and modify molecules with a 2D editor, a 3D ModelKit, and a live-preview XYZ editor.
Learn More →Analyze quantum chemistry results by visualizing molecular orbitals, including HOMO/LUMO levels.
Learn More →Load and save structures in various common formats like XYZ, PDB, MOL, CIF, and MOLDEN.
Learn More →Generate inputs and run quantum chemistry calculations with ElemCo.jl directly from the app, with local and remote execution support.
Learn More →Compute energies and optimize geometries with xtb's g-xTB method in one click, including constrained optimization that freezes selected atoms.
Learn More →Click atoms in the 3D structure or the XYZ viewer to select them, with two-way sync, and insert them as an index list into your ElemCo.jl input.
Learn More →Highlights from recent releases. See the full changelog for every change.
July 2026 · v1.5.0
Assemble a calculation from ordered building blocks, browse and set every ElemCo.jl option (defaults and descriptions included), compose methods with spin prefixes (UCCSD, ΛCCSD(T), EOM-UCCSD), and work from a geometry or an FCIDUMP file — with Julia syntax highlighting.
Learn More →May 2026 · v1.4.0
Calculate the energy or optimize the geometry of the current structure with the g-xTB method in one click. Set charge, unpaired electrons, and extra flags, and even freeze atoms to relax only a selected region.
Learn More →May 2026 · v1.4.0
Click atoms in the 3D structure or the XYZ viewer to select them, with the selection mirrored in both views. Insert the selected atoms as a 1-based index list into your ElemCo.jl input, or use them to constrain an xtb optimization.
Learn More →Experience the power of JLmol with our interactive online demo. Load molecular structures, explore 3D visualizations, and test the editing capabilities directly in your browser.
🚀 Launch Demo
Get the latest version of JLmol for your operating system. Pre-built executables are available for all major platforms.