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bb6d2aa | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 | """Hydrocarbon (RCM) stapling branch.
Entry points used by the main StapleBridge training pipeline:
:mod:`staplebridge.hydrocarbon.catalog` - hydrocarbon building blocks.
:mod:`staplebridge.hydrocarbon.tokenizer` - multi-character monomer
tokenizer (S5, R8, ...) plus the model-vocab projection.
:mod:`staplebridge.hydrocarbon.actions` - hydrocarbon action generator.
:mod:`staplebridge.hydrocarbon.curriculum` - hydrocarbon demonstration paths.
:mod:`staplebridge.hydrocarbon.endpoint_prior` - empirical endpoint prior.
:mod:`staplebridge.hydrocarbon.monomers` - monomer SMILES fragment library.
:mod:`staplebridge.hydrocarbon.smiles_builder` - linear precursor and
RCM-stapled product SMILES construction with strict RDKit validation.
:mod:`staplebridge.hydrocarbon.plan_reference` - plan-aware empirical
reference process (select a whole staple plan, then complete it).
:mod:`staplebridge.hydrocarbon.plan_control` - finite feasible plan support,
q_ref, plan head q_theta and committed-plan trajectory sampling.
:mod:`staplebridge.hydrocarbon.exact_sb_cache` - exact finite-support
teacher q*(p|x) construction and its persistent cache.
:mod:`staplebridge.hydrocarbon.terminal_energy` - hydrocarbon terminal
energy augmentation.
"""
from __future__ import annotations
__all__ = [
"actions",
"catalog",
"curriculum",
"endpoint_prior",
"exact_sb_cache",
"monomers",
"plan_control",
"plan_reference",
"plan_validation",
"property_energy",
"smiles_builder",
"terminal_energy",
"tokenizer",
]
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