Prerequisites: - python 3.8 - pytorch=1.7 - pytorch geometric - pytorch-lightning=1.3.1 - rdkit - numpy - networkx Train on synthetic random graphs, specifying a graph family and parameters: - binomial graphs, on 4 gpus, with parameter p in (0.4, 0.6): python pigvae/syntetic_graphs/main.py --progress_bar -i 1 -g 4 --graph_family binomial -b 64 --p_min 0.4 --p_max 0.6 - mix of 10 different graphs families, on 4 gpus, with parameter p in (0.4, 0.6): python pigvae/syntetic_graphs/main.py --progress_bar -i 1 -g 4 --graph_family all -b 64