README.md

Model Builder App

This app provides an interface for trzining models on the ChemProp^{1 2}. The input file needs a header row, and the first column to be the SMILES with the seconds column being the associated property.

Footnotes

1. Code :https://github.com/chemprop/chemprop ↩

2. Original Paper: Analyzing Learned Molecular Representations for Property Prediction ↩