Description
Semiempirical molecular calculations can be run with an extended tight-binding program package. Computational chemists can optimize structures and estimate properties; jobs may consume significant CPU time and produce research data.
FICHA · AUR
xtb-git
Semiempirical Extended Tight-Binding Program Package
- computational-chemistry-tool
- TERMINAL
- CLI
- SCIENCE
- Launchable
- Runs in terminal
official+codex · reviewed · Jun 5, 2026 description in
en How to run
xtb
Commands: xtb
Permissions
Permissions not analysed for this source yet.