reacnetgenerator

reacnetgenerator is a Chemistry & materials skill for AI agents, published by deepmodeling in the reacnetgenerator repository on GitHub. Skillspace rates reacnetgenerator C (77/100) and it passed the safety scan; the rating is based on static analysis only.

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.

Grade
C
Quality
77 / 100
Safety
Passed
GitHub stars
100

Unproven: rated by static analysis only, not yet compared head-to-head.

This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.

Our review

Architecture
94 / 100
Maturity
Packaged: licensed, with a version or references
Security scan
No issues found
License
LGPL-3.0
Adoption
Adopted by 1 other repositories, in 1 collections

Not checked yet

  • Not judged on the rubric yet (not a contender in its category)
  • No blind task eval yet
  • Scope (portable / vendor / repo-internal) not assessed; only the top of each category is read for scope
  • Sibling files (scripts, references) not fetched; security scan covers SKILL.md only

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