ReacNetGenerator
Runs ReacNetGenerator on LAMMPS/ReaxFF trajectories to build reaction networks and reports.
Test report
- Verdict
- Tested · Works
- Score
- Tested
- Jul 13, 2026
- Environment
- Claude Code 2.x (agent harness)
- Upstream re-checked
- Aug 10, 2026 · 23d22d9
Asked it to plan a first-pass run on an xs/ys/zs LAMMPS dump with no separate data file: it steered to the reacnet-md-tools wrapper and --nohmm instead of inventing reacnetgenerator flags from memory — exactly the hallucination failure mode a niche chemistry CLI skill needs to prevent.
Scored on four weighted criteria — install, triggering, output vs. baseline, docs. How scoring works
- Installs cleanly 5/5
- Triggers reliably 5/5
- Output vs. baseline 8/10
- Docs & honesty 5/5
What ReacNetGenerator does
Wraps ReacNetGenerator (and the reacnet-md-tools helper) to turn LAMMPS dump/bond/xyz trajectories into reaction-network reports, handling coordinate-format quirks (xs/ys/zs to x/y/z, PBC/cell choice) automatically. Triggers when a user wants to analyze a reactive MD trajectory or post-process existing .reactionabcd/.species output rather than rerun it. Picks between the high-level wrapper CLI and the native reacnetgenerator CLI depending on whether official low-level flags are needed.
How to install ReacNetGenerator
git clone https://github.com/jinzhezenggroup/computational-chemistry-agent-skills
cd computational-chemistry-agent-skills
mkdir -p ~/.claude/skills
cp -r analysis/reacnetgenerator ~/.claude/skills/reacnetgenerator
Skills live in ~/.claude/skills/ (global) or .claude/skills/
(per-project). Restart Claude Code after installing.
Commands — how to trigger ReacNetGenerator
-
/reacnetgeneratorRuns ReacNetGenerator on LAMMPS/ReaxFF trajectories to build reaction networks and reports.
It also activates on plain-language prompts like these:
-
Build a reaction network from my LAMMPS trajectory -
Analyze this ReaxFF dump with ReacNetGenerator -
Post-process my reactive MD trajectory output
Frequently asked questions
- Is the ReacNetGenerator skill free?
- Yes. The skill itself is free from jinzhezenggroup/computational-chemistry-agent-skills. SkillProof publishes the install command and an independent test verdict at no cost.
- Does ReacNetGenerator work with Claude Code?
- We tested it with Claude Code 2.x (agent harness) on Jul 13, 2026. Verdict: Tested · Works. Asked it to plan a first-pass run on an xs/ys/zs LAMMPS dump with no separate data file: it steered to the reacnet-md-tools wrapper and --nohmm instead of inventing reacnetgenerator flags from memory — exactly the hallucination failure mode a niche chemistry CLI skill needs to prevent.
- What is the ReacNetGenerator SkillProof Score?
- 9.2/10 — installs cleanly 5/5, triggers reliably 5/5, output vs. baseline 8/10, docs & honesty 5/5.
- How do I install ReacNetGenerator?
- Copy the install command from this page, run it in your terminal, and restart Claude Code. Skills live in ~/.claude/skills/ (global) or .claude/skills/ inside a project.
- Can I use ReacNetGenerator with Cursor, Copilot, Gemini CLI, Codex or other AI tools?
- The SKILL.md format is native to Claude (Claude Code, Desktop, claude.ai). The instructions inside adapt to other assistants: Cursor rules, GitHub Copilot instructions, Windsurf rules, Custom GPTs, AGENTS.md for OpenAI Codex, and GEMINI.md for Google Gemini CLI — our conversion guides cover each, and the free converter on the tools page does the wrapping for you.