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1. rxn4chemistry/MultimodalAnalytical rxn4chemistry/MultimodalAnalytical Public

   Predicting molecular structure from multimodal spectroscopic data

   Python 21 4

2. rxn4chemistry/multimodal-spectroscopic-dataset rxn4chemistry/multimodal-spectroscopic-dataset Public

   Code for generation and benchmarks of the Multimodal Spectroscopic Dataset

   Jupyter Notebook 53 12

3. PyTorch-AdaIN-StyleTransfer PyTorch-AdaIN-StyleTransfer Public

   This project is an unofficial implementation of the paper: Arbitrary Style Transfer in Real-time with Adaptive Instance Normalization

   Jupyter Notebook 33 4

4. rxn4chemistry/nmr-to-structure rxn4chemistry/nmr-to-structure Public

   Prediction molecular structure from NMR spectra

   Python 43 8

5. rxn4chemistry/rxn-ir-to-structure rxn4chemistry/rxn-ir-to-structure Public

   Predicting molecular structure from Infrared (IR) Spectra

   Python 29 4