crystal668-hub/answer-like-a-chemist · Archived

ase

Installation

$ npx skills add https://github.com/crystal668-hub/answer-like-a-chemist

Summary

  • ASE (Atomic Simulation Environment) - Python library for setting up, manipulating, and analyzing atomistic simulations.
  • Use when working with molecular dynamics, DFT calculations, structure manipulation, or any atomistic modeling.
  • Provides unified interface to multiple simulation codes (VASP, Quantum ESPRESSO, LAMMPS, GPAW, etc.).

Stronger alternatives

This repository is archived — consider an actively maintained alternative.

More details

Agent compatibility

Declared targets from SKILL.md / docs. Unmarked agents are not listed — the skill may still install via the CLI.

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Repository health

Default branch master
Open issues 0
Status Archived

History

  1. First recorded snapshot · 1 installs