Observed arrival · 2026-10-10
CAPS: a polymer and materials simulation suite
An open-source desktop, command-line, and Python suite for building, simulating, and analyzing polymers and materials.
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ƒJS
- For
- Polymer and materials simulation practitioners
- Worth noticing
- The sample workflow fixes a random seed and includes LAMMPS and GROMACS exports, making reproducibility visible in the example.
Field notes
An example script grows four polystyrene chains, relaxes the structure, runs 2,000 molecular-dynamics steps, and analyzes density and radius of gyration. The site lists installers for macOS Apple silicon, Windows x64, and Linux, and says force-field libraries, typing rules, samples, and presets ship with the program. Its documentation index includes seven tutorials described as runnable as written.
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○OpenPublic substance visible
✦PrettyNotable craft visible
●ProPolished or operationally mature
◎NicheUnusually specific use
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