From 1362838679dadf39a4d5e0e033951c0aa1be5761 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micha=C5=82=20Koziarski?= Date: Thu, 25 Jan 2024 15:50:15 -0500 Subject: [PATCH] Update README.md Co-authored-by: Alex --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index 80444036..a42eed00 100644 --- a/README.md +++ b/README.md @@ -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