openMIP
Open sourced molecular imprinting.
What is openMIP?
openMIP is an open platform for developing, exploring, and visualising molecularly imprinted polymers (MIPs) directly in the browser. It is designed to make MIP computational chemistry accessible without requiring specialised software installations or high-performance workstations.
Whether you are targeting a small-molecule for drug delivery or the epitope of a biomarking protein, openMIP provides an interactive 3D environment that runs entirely client-side — your data never leaves your machine.
Features
Browser-native
No installation, no server uploads. Everything runs inside your browser tab.
PDB upload
Drag-and-drop any .pdb file to visualise your own structures instantly.
Smart rendering
Stick representation for small molecules, cartoon for proteins.
Structure repair
Atom ordering is remapped on-the-fly when a PDB file is non-standard, without altering the source file.
Graph Informed Predicitons
Small molecules and eptiopes are examined and processed using our flow-matching algorithm to provide optimal interaction.
GPU accelerated
The discrete GPU is requested explicitly via WebGL power-preference hints for smooth interaction.
Technology
openMIP-web is a static single-page application; no framework, no backend. It is a Int8 quantized version of openMIP, which is built as a flow-matching model in PyTorch. The molecular rendering layer is provided by 3Dmol.js, a WebGL-based library developed at the University of Pittsburgh.
Get started
Upload a PDB file from the home page to open it directly in the viewer, or explore the built-in demo molecules to get a feel for the interface.