reacnetgenerator
From the author
Run ReacNetGenerator on reactive MD trajectories to generate reaction networks and reports. Use when the user wants to analyze LAMMPS dump/xyz/bond trajectories with ReacNetGenerator. Handles LAMMPS dump quirks like x/y/z vs xs/ys/zs by converting to x/y/z (orthorhombic + triclinic supported via reacnet-md-tools). Can infer atomname order from a LAMMPS data file. Runs via local reacnetgenerator if available or via `uvx --from reacnetgenerator ...`. Writes outputs into `out/<input_basename>/` with logs and a summary.
Install
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill reacnetgenerator -a claude-code
Installs to .claude/skills/reacnetgenerator/ · Each command fetches the skill straight from GitHub with the open skills CLI.
No download: this skill’s licence (LGPL-3.0) does not let us redistribute its files. The install commands fetch them from GitHub instead.
Want your agent to suggest skills while you type? See how to use skills from your IDE.
Safety checks on SKILL.md
No warnings.
Why 82
aiqbench computes the trust score from public signals. It is not a security audit, so read a skill before you install it.
Similar skills
Closest to this one by what they do and when they are used.
- lammps-reaxffjinzhezenggroup/computational-chemistry-agent-skillsRun reactive molecular dynamics simulations in LAMMPS with the ReaxFF potential, including preparing input scripts (pair_style reaxff + fix qeq/reaxff), mapping LAMMPS atom types to elements via pair_coeff, choosing ensembles (NVE/NVT/NPT), and adding common ReaxFF diagnostics such as species analysis. Use when the user wants LAMMPS+ReaxFF workflows or needs a working, annotated `input.lammps` template.Planning★ 154
- dotnet-cqrs-query-generatorronnythedev/dotnet-clean-architecture-skillsGenerates CQRS Queries with Handlers and Response DTOs for read operations. Uses Dapper for optimized read queries, bypassing the domain model for better performance.Other★ 76
- readme-generatorserejaris/personal-corp-osUse when creating or rewriting README.md for projects. Triggers on "write README", "create README", "update README". Creates human-focused documentation with proper structure.Writing★ 236
- runbook-generatoralirezarezvani/claude-skillsGenerate operational runbooks from a service name — deployment, incident response, maintenance, and rollback workflows. Templated structure customizable per environment. Use when documenting on-call procedures for a new service, standardizing incident response across teams, or producing runbooks before launching to production.DevOps★ 28.7K
- diagram-generatorskillmds/skillmdgenerate, refine, validate, and render diagrams from natural language, notes, code snippets, schemas, tables, or existing diagram source. use for flowcharts, swimlanes, sequence diagrams, state diagrams, er diagrams, class diagrams, architecture/c4-style diagrams, dependency graphs, gantt charts, mind maps, user journeys, sankey-style flows, org charts, network graphs, and other visual models. supports mermaid by default, graphviz dot for complex graph layout, plantuml for uml-heavy engineering diagrams, and svg output when direct markup is more reliable.Media★ 190
- generate-and-gradeseldonframe/seldonframeRun the agent-generator regression net. Use after ANY change under packages/crm/src/lib/agents/generate/** (parse-intent, agent-bundle, bind-tools, tool-catalog) to catch generator breakages — misclassification, lost/wrong tool bindings, wrong channel, wrong skill template — before a human does.Other★ 64
Ratings & reviews
—
no reviews
Tried this skill? Rate it to help others. Sign in
Discussion
Join the discussion. Sign in