Project for finding synthesizable molecules with multiple properties.
cd ..
git clone https://github.com/chemprop/chemprop.git
cd chemprop
conda env create -f environment.yml -n molopt
conda activate molopt
pip install -e .
cd ../mol_finder
cd ..
git clone git@github.com:anonymous20201002/multiobj-rationale.git
cd multiobj-rationale
pip install -e .
cd ../mol_finder
pip intstall -r requirements.txt
export CUDA_VISIBLE_DEVICES=0
export TF_CPP_MIN_LOG_LEVEL=2
export PYTHONPATH=$PWD
python mol_finder/main.py --rounds=10 --epoch=1