Replaces manual polymer property estimation with an automated pipeline for molecular dynamics simulations. Integrates RDKit for structure generation and LAMMPS for physical property calculation.
Tech Stack
PythonChemistry & Materials
Why RadonPy?
• End-to-end automation
• Large polymer database
• Open simulation engine
Limitations
• Requires LAMMPS expertise
• High compute requirements
• Complex dependency chain
3/1/2026
Last Update
46
Forks
13
Issues
BSD-3-Clause
License
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Competitor Cost
-$1,440
/ year (est. based on Schrodinger Materials Science Suite)
