Tutorial showing how a neural net can be trained to predict total densities from form factors with the NMR lipids database
The notebook step by step:
- Initialize the NMR lipids databank
- Gather all available form factors and total densities in data frames
- Preprocess the data to deal with different dimensions due to different experimental setups
- Split data into a train and a test set
- Train and evaluate a neural net that predicts total densities from form factors