100 free credits for every new member

Protein analysis and molecular dynamics in your browser

Prepare structures, run MD simulations and docking, and analyze the results in one place. Run jobs on your own computer for free, and keep every result in your account.

app.code2fold.com · Structure viewer
Code2Fold Studio structure viewer showing HIV-1 protease with docked indinavir and a Ramachandran plot

A real Studio session: HIV-1 protease (PDB 1HSG) with indinavir docked by AutoDock Vina, and a Ramachandran plot in the Analyses panel.

Built on OpenMMGROMACSAutoDock VinaOpenFF SagePDBFixerMDAnalysisAlphaFold DB
The challenge

Computational structural biology should not need a cluster and a week of setup

Expensive infrastructure

MD simulations and docking need GPUs and specialized software that many labs cannot justify for occasional use.

Fragile toolchains

Each engine has its own installation, file formats and parameters. Time goes into maintenance instead of science.

Results that get lost

Trajectories and settings end up scattered across machines, which makes work hard to repeat and share.

The platform

Everything in Studio

One account for structures, simulations, docking and analysis. These are real screens from Code2Fold Studio.

Workflows

From a PDB entry to trajectory analysis in one run

Start from a template or a blank canvas. Studio prepares the structure, minimizes it in a water box, equilibrates, runs production MD and analyzes RMSD and RMSF.

  • Ready templates for MD, docking and protein–ligand MD
  • Branching and merging steps run in parallel
  • Every step's inputs and settings are saved with the result
Workflows
Workflow templates in Code2Fold Studio
Docking and drug discovery

Dock ligands next to the structure you are looking at

Fetch a ligand, set the docking box around the pocket and start AutoDock Vina from the viewer. Poses come back as structures you can inspect, compare and send to MD.

  • AutoDock Vina docking and virtual screening
  • Pocket detection, interactions and contact maps
  • Protein–ligand MD with OpenFF Sage parameters
Structure viewer · Drug discovery
Docking panel in the Code2Fold Studio viewer
Your workspace

Every result and its settings, kept in your account

Jobs run free on your own computer and its GPU, with temperature and load limits that protect the machine. Results, settings and history are saved to your Code2Fold account, so you can pick up from any device.

  • Continue from any result with the next step
  • Projects, collections and saved viewer scenes
  • Filter by tool, status and project
All results
Results list in Code2Fold Studio
Measured, not promised

Production MD speed on a laptop GPU

Explicit-solvent production MD with OpenMM on an NVIDIA RTX 4050 Laptop GPU, measured end to end in Studio.

650ns/day
Crambin (1CRN)
46 residues, solvated
452ns/day
Ubiquitin (1UBQ)
76 residues, solvated
170ns/day
HIV-1 protease (1HSG)
Dimer, 198 residues, solvated

Production step only; preparation, minimization, equilibration and analysis add seconds to a minute for these systems. Data-center GPUs are typically faster.

Who it's for

Built for teams working on proteins

Academic labs

Research-grade simulation and analysis for groups without a dedicated computing team.

Biotech startups

Fast iteration on targets and ligands without upfront infrastructure cost.

Pharma R&D

Standardized, repeatable computational workflows with every setting recorded.

Start today

Bring your proteins to Code2Fold

Create an account, get 100 free credits and run your first workflow today.