Project overview
Computational Chemistry Agent Skills equips OpenClaw with workflows for molecular conversion, conformer generation, DFT and molecular dynamics setup, machine-learning potentials, phonon analysis, reaction networks, and cluster jobs. Users can install the collection or select modules that match their software and research stage. The skills orchestrate existing scientific tools rather than replace them, so each workflow still depends on the required packages, models, licenses, hardware, or HPC access; some modules also need network access for dependencies.
Repository facts
- Primary language
- Python
- License
- LGPL-3.0
- Repository updated
- Jul 14, 2026
- Default branch
- main
Resource types
Collection or directory
Use cases
Research and knowledge
Platforms
OpenClaw
Capabilities
Workflow automation