Deep learning-assisted multivariate curve Resolution 2
Deep-Learning-Based Multivariate Curve Resolution 2 (DeepResolution2) was proposed for automatic resolution of GC-MS data. It utilized deep neural networks to divide the profile into segments, estimate the number of components in each segment, predict the elution region of each component in overlapped peaks, and resolve the overlapped peaks.
python and TensorFlow:
Python 3.6.5 and TensorFlow (version 2.0.0-GPU)
The main packages can be seen in requirements.txt
An example has been provided in Usage.ipynb script for the convenience of users.
Since the model exceeded the limit, we have uploaded all the models and some GC-MS data to Zenodo.
https://doi.org/10.5281/zenodo.5498987
Xiaqiong Fan: xiaqiongfan@csu.edu.cn