add the paper

environment.yml

@@ -0,0 +1,20 @@
+name: graphdit39
+dependencies:
+  - python=3.9
+  - fcd_torch==1.0.7
+  - hydra-core==1.3.2
+  - imageio==2.26.0
+  - joblib==1.2.0
+  - matplotlib==3.7.0
+  - mini_moses==1.0
+  - networkx==3.0
+  - numpy==1.24.2
+  - omegaconf==2.3.0
+  - pandas==1.5.3
+  - pytorch_lightning==2.0.1
+  - rdkit==2023.9.4
+  - scikit_learn==1.2.1
+  - torch==2.0.0
+  - torch_geometric==2.3.0
+  - torchmetrics==0.11.4
+  - tqdm==4.64.1