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1 parent 80fc73f commit bf9d60dCopy full SHA for bf9d60d
tests/test_data/test_repro_allegro.yaml
@@ -84,15 +84,12 @@ training_module:
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type_names: ${model_type_names}
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r_max: ${cutoff_radius}
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# general model params
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- scalar_embed:
+ radial_chemical_embed:
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_target_: allegro.nn.TwoBodyBesselScalarEmbed
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num_bessels: 8
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bessel_trainable: false
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polynomial_cutoff_p: 6
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- two_body_embedding_dim: 32
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- two_body_mlp_hidden_layers_depth: 0
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l_max: 2
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- parity_setting: o3_full
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num_layers: 3
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num_scalar_features: 64
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num_tensor_features: 32
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