MolSim
Cloud-native molecular dynamics orchestration dashboard.
What needs solving?
Running molecular dynamics (MD) simulations requires managing complex software builds (GROMACS, OpenMM), configuring parameters via command line, and managing compute nodes on HPC clusters. This takes time away from actual scientific research.
How MolSim delivers
MolSim provides a clean, visual web interface to design molecular systems, set up force fields, scale cloud compute clusters on demand, and monitor simulations in real-time with WebGL trajectories rendered in-browser.
System Specs
Key Capabilities
- //Zero-install web setup for molecular structures
- //Dynamic node provisioning for GPU-accelerated clusters
- //Integrated NGL Viewer for 3D trajectory rendering
- //Real-time telemetry for temperature, steps, and energy
- //Automated topology and force field generation
Tech Stack
MolSim uses a decoupled control plane. The frontend communicates with a Python coordinator service. When a simulation job is launched, the coordinator calls Slurm/Kubernetes APIs to auto-scale GPU-accelerated cloud nodes. Configuration files (.mdp/.top) are generated programmatically. A sidecar agent monitors GPU temperature, step count, and system energy, streaming real-time statistics via WebSockets. Visualizations use NGL Viewer for interactive WebGL rendering.
Ready to Build
Something Real?
Stop waiting on bloated agencies. We deploy senior engineering teams that ship production-ready systems in weeks, not months.
- ARCHITECTURE SCALABLE
- SECURITY ENTERPRISE
- PERFORMANCE OPTIMIZED
- STATUS AWAITING_INPUT