Formula to Name

Predicts the chemical name of any (real or not) chemical formula.

Check out the Live App here.

This scrape data from Wikipedia for training.

How to Use

1. Create a virtual environment and activate it

virtualenv formula-env
source env/bin/activate

2. Install required modules pip install -r requirements.txt

3. Build the dataset (for custom dataset add train.csv and valid.csv in data folder) python src/get_data.py

4. Train the model python src/train.py

You can give args to train.py

args	shortcut	type	example	default
--learning_rate	-lr	float	0.02	0.0003
--epochs	--	int	10	10
--continue_training	--	bool	True	False

For example

python src/train.py -lr 0.001 --continue_training True

5. Test the model python src/test.py <formula>

for example python src/test.py NaOH