https://doi.org/10.1021/acs.jcim.2c00487
Myeonghun Lee+, Kyoungmin Min*
J. Chem. Inf. Model.
cd ./code/
python cvae.py --dataset ../data/ZINC_logP_MR_sample.csv --data 10000 --size 10 --epochs 200 --gen 5000
python cvae.py --data 1363452 --size 16 --gen 10000