mdtraj /MDTraj
Molecular dynamics trajectory analysis
Small molecules · Dynamics · simulation
★ 743 · Updated 3d ago · LGPL-2
- ★
- 396
- Updated
- 2mo ago
- Licence
- LGPL-2
- Published
- 2026
- Language
- Python
Summary
Protein pKa prediction
Input and output
Details
- Access
- Code link found
The paper or list names a code repository. The repository itself was not opened.
- Usage signal
- ★ 396 · Python
Last commit 2026-07-31
- Published
- 2026
The year the source list gave; the exact date was not checked.
- Identifiers
- doi:10.1021/ct100578z
Same subject and task
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