Skill comparison
Use this as a shortlist, then open the skill detail page before adopting.
Decision summary
Strongest overall
dpdata-cli
Prototype with this skill first; keep a fallback candidate ready.
Fastest prototype
dpdata-cli
Best first install candidate based on install readiness and adoption.
Freshest repo
dpdata-cli
Most recent maintenance signal among this shortlist.
| Signal | dpdata-cli A command-line utility for converting and manipulating over 50 atomic simulation data formats, including outputs from DFT and MD software (VASP, LAMMPS, Gaussian, QE, CP2K, ABACUS, etc.). USE WHEN you need to convert structural or trajectory files between different computational chemistry formats, or when parsing raw simulation outputs into structured training datasets (e.g., deepmd/raw, deepmd/npy, deepmd/hdf5) for DeePMD-kit. |
|---|---|
| Quality | 68/100 Promising |
| Decision verdict | 67/100 Prototype first Prototype with this skill first; keep a fallback candidate ready. |
| Adoption | 135 stars Verified outcomes are shown on each skill page |
| Freshness | Sep 4, 2026 |
| Use-case fit | |
| Workflow fit | |
| Platform hints | Claude Code |
| Warnings | No OpenAgentSkill engagement data yet |
| Best for | GitHub automation workflows · Claude Code teams · builders willing to evaluate younger projects |
Skill comparison
Use this as a shortlist, then open the skill detail page before adopting.
Decision summary
Strongest overall
dpdata-cli
Prototype with this skill first; keep a fallback candidate ready.
Fastest prototype
dpdata-cli
Best first install candidate based on install readiness and adoption.
Freshest repo
dpdata-cli
Most recent maintenance signal among this shortlist.
| Signal | dpdata-cli A command-line utility for converting and manipulating over 50 atomic simulation data formats, including outputs from DFT and MD software (VASP, LAMMPS, Gaussian, QE, CP2K, ABACUS, etc.). USE WHEN you need to convert structural or trajectory files between different computational chemistry formats, or when parsing raw simulation outputs into structured training datasets (e.g., deepmd/raw, deepmd/npy, deepmd/hdf5) for DeePMD-kit. |
|---|---|
| Quality | 68/100 Promising |
| Decision verdict | 67/100 Prototype first Prototype with this skill first; keep a fallback candidate ready. |
| Adoption | 135 stars Verified outcomes are shown on each skill page |
| Freshness | Sep 4, 2026 |
| Use-case fit | |
| Workflow fit | |
| Platform hints | Claude Code |
| Warnings | No OpenAgentSkill engagement data yet |
| Best for | GitHub automation workflows · Claude Code teams · builders willing to evaluate younger projects |
| Not ideal for | teams that need a vendor-supported SLA · high-compliance environments without internal security review |
| OpenAgentSkill engagement | 0 views 0 install copies |
| Install | $ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli |
| Not ideal for | teams that need a vendor-supported SLA · high-compliance environments without internal security review |
| OpenAgentSkill engagement | 0 views 0 install copies |
| Install | $ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli |