De la autor
Prepare ASE molecular-dynamics workflow tasks with backend-agnostic controls. Use when the user needs finite-temperature trajectories with explicit ensemble, timestep, thermostat, and output policies.
Instalare
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill md -a claude-code
Se instalează în .claude/skills/md/ · Fiecare comandă descarcă skill-ul direct de pe GitHub cu utilitarul open source skills.
Identic octet cu octet cu commit-ul scanat, cu licența depozitului și un fișier SOURCE.txt.
Vrei ca agentul să-ți propună skill-uri în timp ce scrii? Vezi cum folosești skill-urile din IDE.
Verificări de siguranță pe SKILL.md
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De ce 84
aiqbench calculează scorul de încredere din semnale publice. Nu este un audit de securitate, așa că citește un skill înainte să-l instalezi.
Skill-uri similare
Cele mai apropiate de acesta prin ce fac și când sunt folosite.
- staticjinzhezenggroup/computational-chemistry-agent-skillsPrepare ASE static (single-point) workflow tasks with backend-agnostic workflow controls. Use when the user needs one-shot energy/force/stress evaluation through an ASE calculator adapter.Productivitate★ 154
- relaxjinzhezenggroup/computational-chemistry-agent-skillsPrepare ASE geometry-optimization workflow tasks with backend-agnostic controls. Use when the user needs structural relaxation while selecting optimizer, convergence target, constraints, and output trajectory policy independently of calculator backend.Productivitate★ 154
- nebjinzhezenggroup/computational-chemistry-agent-skillsPrepare ASE NEB workflow tasks with backend-agnostic controls. Use when the user needs reaction-path optimization between initial/final states with explicit image construction, spring settings, and convergence controls.Media★ 154
- macejinzhezenggroup/computational-chemistry-agent-skillsConfigure ASE MACE calculator adapter settings for ASE workflows. Use when ASE workflow tasks require MACE backend setup including model path/version, device/precision, stress availability, and inference controls.Productivitate★ 154
- ase-workflowsjinzhezenggroup/computational-chemistry-agent-skillsRoute ASE atomistic workflow requests to task-specific subskills based on user intent. Use when the user asks for ASE-based static, relaxation, MD, or NEB workflows and you must apply consistent workflow controls independent of calculator backend.Planificare★ 154
- ase-workflowbrycewang-stanford/Awesome-Journal-SkillsUse when planning an ASE (IEEE/ACM Automated Software Engineering) research-track campaign backward from the deadline, through abstract registration, the double-anonymous submission, the early-rejection gate, rebuttal, the criteria-bound revision round, artifact evaluation, and the camera-ready in both IEEE Xplore and the ACM Digital Library.Productivitate★ 1.3K
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