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ProteinMPNNConfig

ferritin_plms::ligandmpnn::configs

Struct ProteinMPNNConfig 

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pub struct ProteinMPNNConfig {
Show 15 fields
    pub atom_context_num: usize,
    pub augment_eps: f32,
    pub dropout_ratio: f32,
    pub edge_features: i64,
    pub hidden_dim: i64,
    pub k_neighbors: i64,
    pub ligand_mpnn_use_side_chain_context: bool,
    pub model_type: ModelTypes,
    pub node_features: i64,
    pub num_decoder_layers: i64,
    pub num_encoder_layers: i64,
    pub num_letters: i64,
    pub num_rbf: i64,
    pub scale_factor: f64,
    pub vocab: i64,

}

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§atom_context_num: usize§augment_eps: f32§dropout_ratio: f32§edge_features: i64§hidden_dim: i64§k_neighbors: i64§ligand_mpnn_use_side_chain_context: bool§model_type: ModelTypes§node_features: i64§num_decoder_layers: i64§num_encoder_layers: i64§num_letters: i64§num_rbf: i64§scale_factor: f64§vocab: i64

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impl ProteinMPNNConfig

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pub fn proteinmpnn() -> Self

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pub fn ligandmpnn() -> Self

ligandmpnn_v_32_020_25: 32 neighbours, 25 ligand context atoms.

k_neighbors and atom_context_num are checkpoint facts — the .pt carries them as num_edges and atom_context_num — but they are plain Python ints rather than tensors, so candle’s pickle reader does not surface them and they are declared here instead. Verified against the four checkpoints in ferritin-test-data (ferritin-100.11).

Trait Implementations§

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impl Clone for ProteinMPNNConfig

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fn clone(&self) -> ProteinMPNNConfig

Returns a duplicate of the value. Read more
1.0.0 (const: unstable) · Source§

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source. Read more
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impl Debug for ProteinMPNNConfig

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fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter. Read more

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