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Molarium

Methods

Molarium is a local-first molecular workspace. Its molecular viewer is a custom HTML Canvas renderer implemented in this repository.

Structure
RDKit WebAssembly · RCSB PDB and CCD
Simulation
Sage/Rosemary WebGPU · STORMM-style WebGPU ensembles
ML potentials
ANI-2x through ONNX Runtime Web
Folding
OpenFold 2 ONNX · configurable ColabFold-compatible MSA service

Coordinates and calculations remain in the browser except for explicit PDB/CCD retrieval and MSA searches.

Begin analogue design?

Freeze this prepared ligand pose as the reference before changing its chemistry. Preserve reference will keep inherited heavy atoms fixed during ligand cleanup.