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add links to evaluation repo
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tigranfah committed Aug 1, 2024
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### Molecular Optimization 🎯
Running the Optimization Algorithm requires two steps:

**Step 1.** Define the Oracle, which is responsible to evaluate the oracle score for the given molecules. Below is presented the Oracle implementation scheme.
**Step 1.** Define the Oracle, which is responsible to evaluate the oracle scores for the given molecules. Below is presented the Oracle implementation scheme.

```python
class ExampleOracle:
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... fine tuning hyperparameters ...
```
Calling the **optimize** function.
Call the **optimize** function.
```python
from chemlactica.mol_opt.optimization import optimize
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)
```

Refer to [example_run.py](https://github.com/YerevaNN/ChemLactica/blob/main/chemlactica/mol_opt/example_run.py) for a full working example of an optimization run. For more complex examples refer to the [ChemlacticaTestSuit]() repository [mol_opt]() and [retmol]() directories.
Refer to [example_run.py](https://github.com/YerevaNN/ChemLactica/blob/main/chemlactica/mol_opt/example_run.py) for a full working example of an optimization run. For more complex examples refer to the [ChemlacticaTestSuit]() repository [mol_opt](https://github.com/YerevaNN/ChemLacticaTestSuite/tree/master/mol_opt) and [retmol](https://github.com/YerevaNN/ChemLacticaTestSuite/tree/master/retmol) directories.

## Tests
The test for running the a small sized model with the same
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