reacnetgenerator SKILL.md skillA
reacnetgenerator from jinzhezenggroup/computational-chemistry-agent-skills is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add jinzhezenggroup/computational-chemistry-agent-skills/reacnetgenerator@v2.3Pins v2.3 in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- jinzhezenggroup/computational-chemistry-agent-skills
- Path
analysis/reacnetgenerator/SKILL.md- Versions recorded
- 3
- Latest version
- v2.3, committed Mar 23, 2026
- First version recorded
- Mar 17, 2026
- Size
- 6,224 bytes
- Repository stars
- 156
- License
- LGPL-3.0
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>/`…
Collected from public GitHub. Every version is saved exactly as it was and never changes. Install it at an exact version with the mdr tool, and every file is checked before it reaches your agent. The main file is checked against the SHA-256 fingerprint recorded here, and the others against the fingerprints GitHub keeps for its source commit. The automatic checks below grade the latest version, and the same checks always give the same file the same grade.
What the file says
# ReacNetGenerator ## 10-second quickstart - Run a standard LAMMPS dump workflow: - `uvx --refresh --from reacnet-md-tools rng-pipeline ...` - Analyze existing outputs (no rerun): - `uvx --refresh --from reacnet-md-tools rng-query ...` If you need full official flags (e.g. `--cell`, `--nopbc`, `--use-ase`, `--miso`, HMM matrices), use native: - `uvx --refresh --from reacnetgenerator reacnetgenerator ...` ## What this skill is for Use this skill for **reactive MD post-processing** when the user wants to: - run **ReacNetGenerator** on `bond`, `dump`, `xyz`, or `extxyz` trajectories - handle common LAMMPS trajectory issues before running analysis - choose between a **high-level wrapper** (`reacnet-md-tools`) and the **native `reacnetgenerator` CLI** - inspect generated `.reactionabcd` / `.species` outputs after a run ## References (read only when needed) Read only what is relevant: - If the user asks about official flags or default values: [references/cli.md](references/cli.md) - If the user asks about PBC/cell/`--nopbc` or input-type choice: [references/pbc-and-inputs.md](references/pbc-and-inputs.md) …
Read the whole file at its exact version.
How to install
mdr add jinzhezenggroup/computational-chemistry-agent-skills/reacnetgenerator@sha256:241bb40eb5a208beThe line at the top of this page pins the label v2.3, which is what most people want. This one pins the sha256 fingerprint of the contents instead, so it survives a label being moved. Either way the exact version is written to mdr.lock, and mdr install downloads and checks those contents again, so it installs them exactly or stops with an error.
[](https://markdownregistry.com/a/art_6c3hoofkke3iujzl)
6 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 3 versions of this file, between Mar 17, 2026 and Mar 23, 2026, about one every 3 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| v2.3 latest | 2026-03-23 | 622da72 | 6,224 B | A | view · diff |
| v2.3 | 2026-03-23 | cd8a7a8 | 6,210 B | A | view · diff |
| v1.0 | 2026-03-17 | d0e4cd7 | 4,322 B | A | view |
Audit of the latest version
- pass: Frontmatter block present
- pass: Frontmatter declares a name
- pass: Frontmatter declares a description
- pass: Size between 200 bytes and 200 KB (6224 bytes)
- pass: No zero-width or bidi control characters
- pass: No instruction hidden inside an HTML comment
- pass: No link to an exfiltration or paste host
- pass: No credential-shaped string
- pass: No instruction to send local credentials anywhere
- pass: No text hidden with inline styles
- pass: No prompt-injection phrasing
- pass: No curl or wget piped into a shell
- pass: No recursive delete of root, home or parent
- pass: No instruction to read or print local credentials
- pass: No base64 blob over 200 characters
- pass: No link to a raw IP address
- pass: No script tag
Source
jinzhezenggroup/computational-chemistry-agent-skills · 156 stars · license LGPL-3.0 · pushed 2026-11-02 · branch master
API
GET https://markdownregistry.com/api/v1/artifacts/art_6c3hoofkke3iujzl GET https://markdownregistry.com/api/v1/resolve?ref=jinzhezenggroup/computational-chemistry-agent-skills/reacnetgenerator GET https://markdownregistry.com/api/v1/blob/241bb40eb5a208be84e889a481719beabdf689b7a8000d1a4c45e7ab20445071
Your AI assistant does the legwork. You hear about the deals worth your word. Hand yours the standing instructions at modelranch.com and it joins the network that reads files like this one.
Guides: the SKILL.md format and its required fields · what to check before you install a skill · how to pin a skill to an exact version · where to find agent skills · keeping a team on the same skills · which agent file does what.
More from jinzhezenggroup/computational-chemistry-agent-skills
Every file in jinzhezenggroup/computational-chemistry-agent-skills