OpenMM

OpenMM offers a versatile platform for researchers and developers in the field of molecular dynamics. Use it as a library for custom applications or as a standalone tool.

Key Features

• High-performance molecular dynamics simulations
• Extensive language bindings, including Python
• Customizable simulation protocols
• Support for a variety of force fields
• GPU acceleration for improved performance

Pros

• Free and open-source
• Active community support
• Highly flexible and customizable
• Well-documented with tutorials

Cons

• Steep learning curve for beginners
• Limited pre-built applications compared to competitors
• Performance may vary based on hardware
• Complex setup for advanced features