diff --git a/crystal_diffusion/models/score_networks/egnn_score_network.py b/crystal_diffusion/models/score_networks/egnn_score_network.py index a94e2cd6..24f30d7a 100644 --- a/crystal_diffusion/models/score_networks/egnn_score_network.py +++ b/crystal_diffusion/models/score_networks/egnn_score_network.py @@ -30,8 +30,6 @@ class EGNNScoreNetworkParameters(ScoreNetworkParameters): coords_agg: str = "mean" message_agg: str = "mean" n_layers: int = 4 - repulsion_max: float = 0.0, - repulsion_rcut: float = 0.5 edges: str = 'fully_connected' radial_cutoff: float = 4.0 drop_duplicate_edges: bool = True @@ -80,8 +78,6 @@ def __init__(self, hyper_params: EGNNScoreNetworkParameters): coords_agg=hyper_params.coords_agg, message_agg=hyper_params.message_agg, n_layers=hyper_params.n_layers, - repulsion_max=hyper_params.repulsion_max, - repulsion_rcut=hyper_params.repulsion_rcut ) @staticmethod