AlphaFold3 / flax_model /alphafold3 /model /data_constants.py
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"""Constants shared across modules in the AlphaFold data pipeline."""
from flax_model.alphafold3.constants import residue_names
MSA_GAP_IDX = residue_names.PROTEIN_TYPES_ONE_LETTER_WITH_UNKNOWN_AND_GAP.index(
'-'
)
# Feature groups.
NUM_SEQ_NUM_RES_MSA_FEATURES = ('msa', 'msa_mask', 'deletion_matrix')
NUM_SEQ_MSA_FEATURES = ('msa_species_identifiers',)
TEMPLATE_FEATURES = (
'template_aatype',
'template_atom_positions',
'template_atom_mask',
)
MSA_PAD_VALUES = {'msa': MSA_GAP_IDX, 'msa_mask': 1, 'deletion_matrix': 0}