Physics-first molecular pose search powered by WebGPU.
Dock and score hundreds of ligands per second, entirely in your browser.
All computation runs in-browser via WebGPU compute shaders
Benchmarked on consumer GPUs (RTX 3060-4090). No cloud, no queue.
Run IsoPose to dock each ligand from scratch on your GPU, then IsoScore to rescore the full library at top speed.
GPU-accelerated pose search using Adaptive Multi-Resolution sampling. Each ligand is docked from scratch in the binding pocket. ~40 ligands/sec on consumer GPUs (10-67 depending on ligand complexity).
Lightning-fast rescoring of pre-docked poses at ~10,000+ ligands/sec. Validates against 46 validated targets. Export ranked hit lists with confidence scores.
FFT-accelerated docking for compatible targets. Pre-computed receptor grids enable 1.5-5x faster pose search with identical accuracy.
Create your own scoring profiles. Choose geometric, physics, or hybrid mode. Adjust feature weights and test against your compounds in real time.
Download ranked results as SDF with embedded scores, PDF reports with pose images, or raw CSV for downstream analysis.
All scoring runs in your browser via WebGPU compute shaders. Your structures and compounds never leave your machine. Zero cloud upload.
Receptor PDB or select from 46 validated targets
SDF library, up to 10,000 compounds per run
Run IsoPose + IsoScore entirely on your GPU
3D viewer, ranked hits, SDF/PDF/CSV export
Beyond Drug Discovery
Create a free account to access IsoPose, IsoScore, and all 46 validated targets.
Get Started Free Try Materials (No Signup)No credit card required. WebGPU-compatible browser needed (Chrome 113+, Edge 113+, or latest Brave). Firefox is not yet supported.