You are tasked with generating a comprehensive, AI-optimized theoretical Raman spectrum report for the…
You are tasked with generating a comprehensive, AI-optimized theoretical Raman spectrum report for the…: a task in SkillNet-Gym (Harbor dataset). Note: Do not use external web databases to look up the chemical properties or fingerprints; you must rely entirely on the provided skill tools in your…
The task
*Note: Do not use external web databases to look up the chemical properties or fingerprints; you must rely entirely on the provided skill tools in your environment to perform the conversions, featurization, and simulations.*
Part of zjunlp/SkillNet-Gym.