Repository for Molecular-Property Prediction with Sparsity. Contains the Python package and scripts for replicating experiments.
conda env create -f environment.yml
conda activate smiles-gpt
pip install git+https://github.com/sanjaradylov/sparse-cheml.git # This package
pip install requirements_solvers.txt # To reproduce the experiments with examples/run.py
pip install requirements_test.txt # To run tests