@@ -11,7 +11,7 @@ function select_and_preprocess(
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cutoff_radius):: StructVector {
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Sphere{T}, @NamedTuple {center:: Vector{Point3{T}} , r:: Vector{T} }, Int64}
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end |> Batch{Vector{StructVector{
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- Sphere{T}, @NamedTuple {center:: Vector{Point3{T}} , r:: Vector{T} }, Int64}}}
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+ Sphere{T}, @NamedTuple {center:: Vector{Point3{T}} , r:: Vector{T} }, Int64}}}
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preprocessing ((point, neighboord))
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end
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@@ -32,7 +32,7 @@ function general_angular_dense(main_chain, secondary_chain; name::String,
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function add_van_der_waals_channel (main_chain)
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Parallel (vcat,
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main_chain,
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- WrappedFunction ((x -> Float32 .(x)) ∘ is_in_van_der_waals))
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+ WrappedFunction {:direct_call} ((x -> Float32 .(x)) ∘ is_in_van_der_waals))
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end
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Chain (PreprocessingLayer (Partial (select_and_preprocess; cutoff_radius)),
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main_chain |> (van_der_waals_channel ? add_van_der_waals_channel : identity),
@@ -51,7 +51,7 @@ function tiny_angular_dense(; van_der_waals_channel = false, kargs...)
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Parallel (.* ,
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Chain (Dense (6 => 7 , elu),
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Dense (7 => 4 , elu)),
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- Lux. WrappedFunction (scale_factor)
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+ Lux. WrappedFunction {:direct_call} (scale_factor)
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),
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Chain (
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BatchNorm (4 + van_der_waals_channel),
@@ -67,7 +67,7 @@ function light_angular_dense(; van_der_waals_channel = false, kargs...)
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Parallel (.* ,
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Chain (Dense (6 => 10 , elu),
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Dense (10 => 5 , elu)),
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- Lux. WrappedFunction (scale_factor)
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+ Lux. WrappedFunction {:direct_call} (scale_factor)
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),
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Chain (
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BatchNorm (5 + van_der_waals_channel),
@@ -84,7 +84,7 @@ function medium_angular_dense(;
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Parallel (.* ,
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Chain (Dense (6 => 15 , elu),
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Dense (15 => 10 , elu)),
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- Lux. WrappedFunction (scale_factor)
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+ Lux. WrappedFunction {:direct_call} (scale_factor)
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),
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Chain (
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BatchNorm (10 + van_der_waals_channel),
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