coal-molecular-structure

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GYLiGroup / GenCoal

Input FT-IR to generate SMILES of Coal fragments based on deep learning model ClipIRMol. Feeding your experimental C-13 NMR and elemental ratios to generate final coal model using structral based on structural evolution.

chemistry coal-molecular-structure

Updated May 12, 2024
Python

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coal-molecular-structure

Here is 1 public repository matching this topic...

GYLiGroup / GenCoal

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