Skip to content

Commit

Permalink
Update README.md
Browse files Browse the repository at this point in the history
Co-authored-by: Alex <[email protected]>
  • Loading branch information
michalkoziarski and alexhernandezgarcia authored Jan 25, 2024
1 parent 1661f52 commit 1362838
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -28,7 +28,7 @@ python -m pip install -U --no-deps pytorch3d==0.3.0

## Training

Example command for running training on a specific molecule:
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
Expand Down

0 comments on commit 1362838

Please sign in to comment.