MolSim Engine is our flagship GPU-accelerated molecular dynamics simulation platform, designed for high-throughput computational chemistry workflows.
Overview
Built on CUDA and OpenCL backends, MolSim Engine provides researchers with a flexible, performant foundation for studying molecular interactions at scale.
Key Features
- GPU-accelerated force calculations
- Support for AMBER and CHARMM force fields
- Python bindings for workflow integration
- Distributed simulation across multiple GPUs