TRION Cloud
Structure-based screening, right in your browser
Open a browser tab, pick a sample protein, and run a real screen. There's no install and no GPU to set up, and you only pay for the runs you make.
Nothing to install
Open a browser tab and start. No Docker, no GPU.
Pay as you go
Buy credits, spend them only when you run.
Same GNINA engine
The same results you'd get in TRION Desktop, run in the cloud.
API & export
Submit jobs via API; export to CSV, SDF, PDB.
“We were running real docking the same afternoon — no cluster to set up, no install.”
— Computational chemist
“Opening any score to see the pose behind it changed how we triage hits.”
— Medicinal chemist
“Per-run pricing lets students run their own screens without a budget meeting.”
— Principal investigator
“Same engine as the desktop app, but I hand a colleague a link instead of a setup guide.”
— Cheminformatician
“AI Cofolding the top hits and inspecting the pose in 3D is now part of our weekly review.”
— Structural biologist
“We were running real docking the same afternoon — no cluster to set up, no install.”
— Computational chemist
“Opening any score to see the pose behind it changed how we triage hits.”
— Medicinal chemist
“Per-run pricing lets students run their own screens without a budget meeting.”
— Principal investigator
“Same engine as the desktop app, but I hand a colleague a link instead of a setup guide.”
— Cheminformatician
“AI Cofolding the top hits and inspecting the pose in 3D is now part of our weekly review.”
— Structural biologist
“We were running real docking the same afternoon — no cluster to set up, no install.”
— Computational chemist
“Opening any score to see the pose behind it changed how we triage hits.”
— Medicinal chemist
“Per-run pricing lets students run their own screens without a budget meeting.”
— Principal investigator
“Same engine as the desktop app, but I hand a colleague a link instead of a setup guide.”
— Cheminformatician
“AI Cofolding the top hits and inspecting the pose in 3D is now part of our weekly review.”
— Structural biologist
Use cases
From first screen to lead series
Start on a new target or refine an existing series with the same set of tools.
Hit discovery
Virtual-screen a large library against a new target to rank your first actives.
Binding-mode check
Cofold a hit to see the predicted complex and confirm the binding mode in 3D.
Lead optimization
Rank analogs of a focused series with constrained docking and AI Cofolding.
Validated science
A published engine, and runs that reproduce
Trion runs on a published docking engine. Every run reproduces from a fixed seed, and you can open any score to see the pose behind it.
75.98%
Docking accuracy · kinase (RMSD ≤ 2 Å)
21min
Docking 10,000 compounds on Trion Cloud
1/10
Computing cost vs traditional HPC
Recipient of the 2024 Good-R&D Award for its compound screening solution.
Workflow
Two workflows, one pipeline
Run a virtual screen, fold the complexes that look promising, and take a ranked shortlist to the bench.
Virtual Screening
Rank thousands of ligands in a single pass.
Dock a full library against your target and sort the results in one dashboard.
- Browse 100K+ results in one sortable table.
- Cluster similar scaffolds in one click.
- Preview 20 structures inline; export to CSV, SDF, PDB.
AI Cofolding
Predict the bound complex, then look at it in 3D.
See the predicted protein–ligand structure behind the score, and inspect the binding mode directly.
- Predict the full bound structure, including the protein conformation.
- Cofold a batch of candidate ligands in one run.
- Inspect in 3D and export to PDB.
Day to day
Less time fighting the tool
Preview instantly
Type a PDB ID and see the structure load in the viewer — check your target before the run.
Target Protein
1HSG · 2 chains · Auto Box
Ligand Library
Diversity Library 10K · 10,238
Project Settings
gnina · exhaustiveness 4
Unify workflows
Everything from upload to export happens in one place.
Track and analyze
Sort, filter, and cluster your hits, then export results that drop straight into a paper.
How it works
From target to shortlist in four steps
Pick a target
Enter an RCSB PDB ID or upload your protein, then set the binding site.
Add your library
Upload candidate compounds as SMILES and preview them before you run.
Run the screen
Dock thousands of ligands in the cloud, on our hardware.
Review & export
Rank, cluster and inspect hits in 3D, then export to CSV, SDF or PDB.
Pricing
Pay per run, for both workflows
Virtual Screening
Screen large compound libraries against your target. You pay per ligand, with no setup fee and no minimum.
$0.01
per ligand screened
1 credit each
AI Cofolding
Predict the bound protein–ligand complex and view it in 3D. You're charged per complex you fold.
From $1
per folded complex
100 credits each
