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ProteinMPNN

ferritin_plms::ligandmpnn::model

Struct ProteinMPNN 

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pub struct ProteinMPNN { /* private fields */ }
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ProteinMPNN Model

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impl ProteinMPNN

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pub fn load(vb: VarBuilder<'_>, config: &ProteinMPNNConfig) -> Result<Self>

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pub fn encode( &self, features: &ProteinFeatures, ) -> Result<(Tensor, Tensor, Tensor)>

Encode the structure into node and edge embeddings.

Both model types run the same three EncLayers over the same protein neighbour graph. LigandMPNN then folds in a ligand context path before returning — Self::encode_ligand_context, a private helper, so not linkable from here.

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pub fn simple_decode(&self, features: &ProteinFeatures) -> Result<ScoreOutput>

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pub fn sample( &self, features: &ProteinFeatures, temperature: f64, seed: u64, ) -> Result<ScoreOutput>

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pub fn score( &self, features: &ProteinFeatures, use_sequence: bool, ) -> Result<ScoreOutput>

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