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Research & Science · JCLiuGroup/AI-Computational-Chemist
Skills
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| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | 1.Deepmd DeePMD-kit and Deep Potential Molecular Dynamics workflows. An agent skill from JCLiuGroup/AI-Computational-Chemist. | JCLiuGroup/ | 148 | 1 repo | ~780 | Automated safety check: Pass | Unknown | 14 days ago |
| 2 | 2.Gaussian Prepare, validate, and troubleshoot Gaussian molecular quantum chemistry jobs. | JCLiuGroup/ | 148 | 1 repo | ~1k | Automated safety check: Pass | Unknown | 14 days ago |
| 3 | 3.Gromacs Prepare, validate, run, resume, troubleshoot, and analyze GROMACS molecular dynamics. | JCLiuGroup/ | 148 | 1 repo | ~1.7k | Automated safety check: Pass | Unknown | 14 days ago |
| 4 | Extract concrete computational tasks from papers, supplementary information, peer-review files, reviewer comments, reports, or manuscript PDFs, and seed .research evidence artifacts such as… | JCLiuGroup/ | 148 | 1 repo | ~1.2k | Automated safety check: Pass | Unknown | 14 days ago |
| 5 | 5.Report Assemble stage-synthesis or final .docx reports from computed results. | JCLiuGroup/ | 148 | 1 repo | ~845 | Automated safety check: Pass | Unknown | 14 days ago |
| 6 | Orchestrate semi-automatic computational responses to peer review. | JCLiuGroup/ | 148 | 1 repo | ~2.1k | Automated safety check: Pass | Unknown | 14 days ago |
| 7 | Prepare and convert atomistic structures before calculations. | JCLiuGroup/ | 148 | 1 repo | ~856 | Automated safety check: Pass | Unknown | 14 days ago |
