added graph2smiles with new datasplit and environmnet

Author: Arihanth007

README.md

@@ -5,6 +5,12 @@ An encoder-decoder transformer model that models retrosynthetic analysis along w
 
 The code to our metric - Retrosynthesis Refinement Index (RRI), can be found at `benchmark.py,`, and the results of analyzing various algorithms with our metric can be found at `benchmark.ipynb`.
 
+Create the environment `conda create -y -n synformer python=3.10`, activate the environment `conda activate synformer` and install the dependencies:
+ - `conda install -y pytorch==2.0.1 torchvision==0.15.2 torchaudio==2.0.2 pytorch-cuda=11.7 -c pytorch -c nvidia`
+ - `pip install pytorch-lightning==2.0.3 rdkit-pypi pandas einops prettytable transformer wandb numpy==1.24.3`
+ - `pip install git+https://github.com/ildoonet/pytorch-gradual-warmup-lr.git`
+ - `python -m pip install git+https://github.com/MolecularAI/pysmilesutils.git`
+
 Our model can be trained using the following command:
 ```python
 python llm.py \