An alternative to commercial MD simulation managers like Desmond. It offers a Python-based workflow for system preparation, simulation execution, and Markov State Model analysis.
Tech Stack
Rich Text FormatChemistry & Materials
Why htmd?
• High-throughput capability
• Advanced MSM analysis
• Unified MD environment
Limitations
• Proprietary core components
• Complex installation
• Steep learning curve
3/4/2026
Last Update
59
Forks
8
Issues
Other
License
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