Struct MPNNExecConfig

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pub struct MPNNExecConfig { /* private fields */ }

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Responsible for taking CLI args and returning the Features and Model

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impl MPNNExecConfig

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pub fn new( device: Device, pdb_path: String, run_config: RunConfig, residue_config: Option<ResidueControl>, aa_bias: Option<AABiasConfig>, lig_mpnn_specific: Option<LigandMPNNConfig>, membrane_mpnn_specific: Option<MembraneMPNNConfig>, multi_pdb_specific: Option<MultiPDBConfig>, ) -> Result<Self, Error>

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pub fn load_model(&self, model_type: ModelTypes) -> Result<ProteinMPNN, Error>

Load the weights for model_type.

Delegates to ProteinMPNNRunner::from_pretrained, which downloads from zcpbx/ligandmpnn-weights. This previously extracted an embedded test fixture (TestFile::ligmpnn_pmpnn_01) to a temp file, which made the 37 MB ferritin-test-data crate a runtime dependency of every downstream consumer (ferritin-100.10).

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pub fn generate_protein_features(&self) -> Result<ProteinFeatures, Error>

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impl UnwindSafe for MPNNExecConfig

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