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SDK reference

Module index

Python SDK 2026.11.05 · generated package reference

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SDK 2026.11.05Python setup & overview →

• Neurosnap SDK package
  • Subpackages
    • neurosnap.algos namespace
      • Subpackages
      • Submodules
    • neurosnap.chemistry package
      • CharacterizationReport
      • ChemicalGraph
      • ChemicalLandscape
      • EdgeType
      • FingerprintConfig
      • FragmentConfig
      • FragmentMethod
      • LandscapeConfig
      • NodeType
      • RGroupDecompositionResult
      • ReverseFragmentRecord
      • ScaffoldConfig
      • SimilarityConfig
      • align_molecule_to_reference()
      • attach_rgroup()
      • calculate_distance_matrix()
      • calculate_rmsd()
      • canonicalize_smiles()
      • decompose_molecules()
      • enumerate_core()
      • find_LCS()
      • generate()
      • get_mol_center()
      • largest_fragment()
      • minimize()
      • move_ligand_to_center()
      • neutralize_molecule()
      • reassemble_fragments()
      • remove_salts()
      • reversible_fragment_record()
      • sdf_to_smiles()
      • smiles_to_sdf()
      • standardize_molecule()
      • translate_molecule()
      • validate_smiles()
      • Submodules
    • neurosnap.constants package
      • AARecord
      • AARecordTable
      • Submodules
    • neurosnap.database package
      • CCD
      • PubChemCompound
      • PubChemHit
      • fetch_accessions()
      • fetch_pubchem_sdfs()
      • fetch_uniprot()
      • foldseek_search()
      • get_ccd()
      • get_ccd_canonical_aa()
      • get_ccd_entries()
      • get_pubchem_compound()
      • run_blast()
      • search_pubchem_similar()
      • Submodules
    • neurosnap.io namespace
      • Submodules
    • neurosnap.sequence package
      • Submodules
    • neurosnap.structure package
      • Atom
      • AtomReference
      • BondType
      • Chain
      • CoordinationCenterRecord
      • InteractionEntity
      • InteractionRecord
      • InteractionReport
      • InteractionType
      • PLDDTReport
      • Residue
      • Structure
      • StructureEnsemble
      • StructureStack
      • add_hydrogens_with_pdb2pqr()
      • add_terminal_capping_groups()
      • align()
      • analyze_interactions()
      • animate_frames()
      • ca_distance_matrix()
      • calculate_bsa()
      • calculate_distance_matrix()
      • calculate_hydrogen_bonds()
      • calculate_interface_hydrogen_bonding_residues()
      • calculate_protein_volume()
      • calculate_rmsd()
      • calculate_surface_area()
      • extract_non_biopolymers()
      • find_contacts()
      • find_disulfide_bonds()
      • find_hydrophobic_residues()
      • find_interface_contacts()
      • find_interface_residues()
      • find_non_interface_hydrophobic_patches()
      • find_salt_bridges()
      • fix_nucleic_termini()
      • get_backbone()
      • has_hydrogens()
      • optimize_hydrogens_with_pdb2pqr()
      • remove_altlocs_and_duplicate_atoms()
      • remove_atoms()
      • remove_chains()
      • remove_non_biopolymers()
      • remove_nucleotides()
      • remove_waters()
      • render_pseudo3D()
      • render_structure_pseudo3D()
      • select_residues()
      • strip_hydrogens()
      • summarize_plddt()
      • Submodules
  • Submodules
    • neurosnap.api module
      • NeurosnapAPI
    • neurosnap.log module
      • CustomLogger
      • c

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