Molecular software, modernized

Build molecules by hand. Simulate them like a scientist.

Moleculix is a small family of tools for constructing, exploring, and simulating molecular structures — from a first-time learner dragging atoms into place, to a researcher running molecular dynamics on the same model.

01 · Learn

Moleculix Junior

An approachable 3D molecule builder for anyone learning chemistry. Click atoms into place, form bonds, and rotate structures in real time.

  • Interactively build simple organic molecules
  • See valence and bonding rules as you build
  • Rotate structures around individual bonds
  • Understand why molecules bend, or don’t
See Moleculix Junior →
02 · Simulate

Moleculix++

The power-user tool. The same visual molecule builder, backed by a real cheminformatics and simulation stack — for people who want to go past the sketch.

  • Molecular dynamics via OpenMM
  • Structure & property analysis via RDKit
  • Format conversion & I/O via Indigo
  • Full Python bindings — script the whole engine, OpenMM and RDKit included
  • Built for iterating on real models, fast
See Moleculix++ →

Ready to build your first molecule?

Moleculix Junior is free to try — no simulation background required.