ferritin_ligandmpnn::ligandmpnn::proteinfeatures

Struct ProteinFeatures

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pub struct ProteinFeatures { /* private fields */ }

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impl ProteinFeatures

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pub fn get_coords(&self) -> &Tensor

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pub fn get_sequence(&self) -> &Tensor

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pub fn get_sequence_mask(&self) -> Option<&Tensor>

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pub fn get_residue_index(&self) -> &Tensor

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pub fn save_to_safetensor(&self, path: &str) -> Result<()>

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pub fn get_encoded( &self, ) -> Result<(Vec<String>, HashMap<String, usize>, HashMap<usize, String>)>

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pub fn get_encoded_tensor( &self, fixed_residues: String, device: &Device, ) -> Result<Tensor>

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pub fn get_chain_mask_tensor( &self, chains_to_design: Vec<String>, device: &Device, ) -> Result<Tensor>

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pub fn update_mask(&mut self, tensor: Tensor) -> Result<()>

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pub fn create_bias_tensor(&self, bias_aa: Option<String>) -> Result<Tensor>

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