SpectraPrediction.md

1. Predicting molecular spectra on Mol-HIV dataset - PNA + CustomLoss -

2. PDNConv + SampleLoss from GeomLoss library (https://www.kernel-operations.io/geomloss/api/install.html) -

3)(Update - 31/July/2022) InfoGraph+Predicting Spectra but Jaccard Index doesnt work -