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pigvae's Introduction

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


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