Molecular DynamicsCataloged
OpenMM
GPU-accelerated molecular dynamics toolkit with machine learning potential support and extensive Python API.
- License
- MIT / LGPL
- Access
- Open source
- Install
- Source · Package
- Verification
- Cataloged ·
Key features
- PyTorch ML potential support
- multi-GPU compute
- CUDA/OpenCL/HIP backends
- extensive language bindings
Capabilities
- Molecular simulation
- Parallel computing
- GPU acceleration