← Operations

Md

Prepares molecular dynamics simulation inputs for DFTB+ from your structure.

/mdjinzhezenggroup/computational-chemistry-agent-skills

More in Operations

  • BandPrepares GPAW band-structure workflow scripts for electronic structure calculations.
  • Cycle PlanPlans development cycles using velocity analytics.
  • Fit Ride StudioAnalyze one or more cycling, running, or hiking FIT/KML activity tracks, generate.
  • Link DepsDiscover and link related issues as dependencies.
  • Pymatgen StructureStructure manipulation and crystal analysis workflows based on pymatgen.
  • StaticPrepare SIESTA single-point (static) task inputs from a user-provided structure and.
  • LLM WikiQueries LLM Wiki knowledge base with semantic search.
  • QA DoPoints your QA situation to the right skills in order.