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Updated tokenizer and models,selfies version update,version bump
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Kohulan committed Apr 22, 2021
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Expand Up @@ -46,16 +46,16 @@ $ pip install tensorflow-gpu==2.3.0 selfies matplotlib unicodedata2

```
$ pip install tensorflow==2.3.0 selfies matplotlib unicodedata2
$ python STOUT_V_2.0.py --help #Use for help
$ python STOUT_V_2.1.py --help #Use for help
```
- When you run the program for the first time the models will get automatically downloaded(Note: total size is ~ 3.1GB). Also, you can manually download the models from [here](https://storage.googleapis.com/iupac_models_trained/Trained_model/STOUT_trained_models_v2.0.zip)
```
e.g.:
# Always write the SMILES or IUPAC name inside quotes ''/"".
python STOUT_V_2.0.py --smiles 'CN1C=NC2=C1C(=O)N(C(=O)N2C)C' #SMILES to IUPAC
python STOUT_V_2.0.py --iupac '1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione' #IUPAC to SMILES
python STOUT_V_2.1.py --smiles 'CN1C=NC2=C1C(=O)N(C(=O)N2C)C' #SMILES to IUPAC
python STOUT_V_2.1.py --iupac '1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione' #IUPAC to SMILES
```

## How to use in Windows
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