Collection or directoryResearch and knowledge

computational-chemistry-agent-skills

Run computational chemistry preparation, analysis, and job workflows through OpenClaw.

Stars
105
Forks
23
License
LGPL-3.0
Updated
Updated Jul 14, 2026

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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

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