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FoldingTrunk

ferritin_plms::esmfold2::layers::folding_trunk

Struct FoldingTrunk 

Source 
pub struct FoldingTrunk { /* private fields */ }
Expand description

24-layer Pairformer trunk that jointly refines single and pair representations.

  • Single repr: [B, N, d_single=384]
  • Pair repr: [B, N, N, d_pair=256]

Implementations§

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impl FoldingTrunk

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pub fn load( vb: VarBuilder<'_>, n_layers: usize, d_single: usize, d_pair: usize, n_heads: usize, ) -> Result<Self>

Load the folding trunk from a VarBuilder rooted at folding_trunk.*.

n_heads comes from ESMFold2Config::trunk_n_heads (8 for ESMFold2-Fast).

Source

pub fn init_pair( &self, single: &Tensor, residue_indices: &Tensor, chain_ids: &Tensor, ) -> Result<Tensor>

Initialise the pair representation from sequence and chain metadata.

§Arguments
  • single — [B, N, d_single]
  • residue_indices — [B, N] integer residue positions
  • chain_ids — [B, N] integer chain identifiers
§Returns

[B, N, N, d_pair]

Source

pub fn forward( &self, single: &Tensor, pair: &Tensor, ) -> Result<(Tensor, Tensor)>

Run all 24 Pairformer layers.

§Arguments
  • single — [B, N, d_single] (passed through; single update is TODO)
  • pair — [B, N, N, d_pair] (from init_pair)
§Returns

(single [B, N, d_single], pair [B, N, N, d_pair])

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