From 160b2e369e9d564a47c33aa7881b54013569045a Mon Sep 17 00:00:00 2001 From: RaulPPealez Date: Fri, 21 Jun 2024 11:12:12 +0200 Subject: [PATCH] Remove unused parameter --- torchmdnet/scripts/train.py | 1 - 1 file changed, 1 deletion(-) diff --git a/torchmdnet/scripts/train.py b/torchmdnet/scripts/train.py index a220ca7d..f4f08058 100644 --- a/torchmdnet/scripts/train.py +++ b/torchmdnet/scripts/train.py @@ -61,7 +61,6 @@ def get_argparse(): parser.add_argument('--remove-ref-energy', action='store_true', help='If true, remove the reference energy from the dataset for delta-learning. Total energy can still be predicted by the model during inference by turning this flag off when loading. The dataset must be compatible with Atomref for this to be used.') parser.add_argument('--regularize-second-gradient', action="store_true", help='If true, regularize the second derivative of the energy w.r.t. the coordinates') - parser.add_argument('--regularization-coefficient', type=float, default=0.0, help='Coefficient for the regularization term') parser.add_argument('--regularization-weight', type=float, default=0.0, help='Weight for the force regularization term') # dataset specific parser.add_argument('--dataset', default=None, type=str, choices=datasets.__all__, help='Name of the torch_geometric dataset')