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@@ -15,6 +15,7 @@ In this paper, we studied the following property optimization tasks:
We follow the previous work [LIMO](https://github.com/Rose-STL-Lab/LIMO) for setting up RDKit, Open Babel and AutoDock-GPU. We extend our gratitude to the authors for their significant contributions.
## Data
We use selfies representations of ZINC250k with corresponding property values. All the property values can be computed either by RDKit or AutoDock-GPU.