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reacnetgenerator
jinzhezenggroup/computational-chemistry-agent-skillsSkill
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.
Why this score
This repo hosts 10 skills, so its 153 stars are split between them (about 15 each) for scoring.
Popularity score: 61/100 from public GitHub signals only. It shows how widely used and maintained this is, not how well it works. Not included yet: the fake-star check. The security scan is shown separately and doesn't change the score. How we rank
Security
Scanned Oct 20, 2026 at commit 5c19e75b256d, with Cisco's open-source skill-scanner.
None of the patterns we list turned up: shell commands, network requests, reading environment variables, downloading and running code, or installing packages.
A scan lists patterns in the code. It can't prove an add-on is harmless, and it can miss things, so read what you install. How we scan
Alternatives
Nothing from another maker does quite the same job yet.