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ProteinMPNNRunner

ferritin_plms::ligandmpnn::pmpnn_runner

Struct ProteinMPNNRunner 

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pub struct ProteinMPNNRunner { /* private fields */ }

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impl ProteinMPNNRunner

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pub fn load_model(modeltype: ProteinMPNNModels, device: Device) -> Result<Self>

Load a ProteinMPNN model from HuggingFace hub.

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pub fn from_path(path: impl AsRef<Path>, device: Device) -> Result<Self>

Load from a local .pt file (e.g. from ferritin-test-data or a cached download).

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

Run ProteinMPNN and return a (L, 21) log-probability tensor for all positions.

Useful for numerical parity tests against a Python reference. Values are log-softmax of the raw logits from a single structure-conditioned forward pass (the same computation as simple_decode).

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pub fn get_pseudo_probabilities( &self, features: &ProteinFeatures, ) -> Result<Vec<PseudoProbability>>

Run ProteinMPNN and return per-residue pseudo-probabilities for the 21 amino acids.

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