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README.md

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Molecular Generation with GDB-13 dataset

Setup

cd ..
mkdir GDB_Generation_project
mv Molecular_Generation_with_GDB13 GDB_Generation_project/

Setup a conda envirement:

cd Molecular_Generation_with_GDB13
conda env create --file=environment.yml
conda activate molgen
  1. Download data_subsets from here

Demo

Result

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