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Update README.md
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michalkoziarski authored Jan 25, 2024
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Expand Up @@ -31,7 +31,7 @@ python -m pip install -U --no-deps pytorch3d==0.3.0
Example command to train a Conf-GFlowNet on the specific molecule `CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)O` and TorchANI as the energy proxy estimator for the reward:

```bash
HYDRA_FULL_ERROR=1 python main.py +experiments=ai4mat23/mlp_torchani device=cpu 'env.smiles="CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)O"' proxy=conformers/torchani logger.do.online=True user.logdir.root=logs
python main.py +experiments=ai4mat23/mlp_torchani device=cpu 'env.smiles="CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)O"' proxy=conformers/torchani logger.do.online=True user.logdir.root=logs
```

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