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ir-spectra-simulation

Compute and visualize IR spectra from an input SMILES string or XYZ file using MLatom.

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InternScience

internscience-chemclaw-ir-spectra-simulation · v1.0.1

分类cli-utilities

安装次数334

更新时间2026-09-13T12:12:42.490Z

校验状态待验证