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removed unused imports
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examples/macrocyclic_peptides_thrombin_vina/macrocylic_peptides_thrombin_oracle.ipynb

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Original file line numberDiff line numberDiff line change
@@ -45,23 +45,7 @@
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"from mobius import homolog_scanning\n",
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"from mobius import convert_FASTA_to_HELM, convert_HELM_to_FASTA\n",
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"from mobius import VinaScorer\n",
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"from mobius.utils import MolFromHELM\n",
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"from mobius.utils import generate_biopolymer_design_protocol_from_probabilities\n",
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"\n",
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"from mobius.utils import constrained_sum_sample_nonneg\n",
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"from mobius.optimizers.genetic_algorithm import _load_polymer_design_from_config\n",
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"from mobius.optimizers.genetic_algorithm import _generate_random_polymers_from_designs\n",
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"\n",
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"from rdkit.ML.Cluster import Butina\n",
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"from rdkit.Chem import rdFMCS\n",
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"from rdkit.Chem import AllChem, rdMolAlign\n",
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"from rdkit.Chem import rdDistGeom\n",
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"from rdkit.Chem import rdForceFieldHelpers\n",
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"from rdkit.Geometry import Point3D\n",
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"\n",
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"from scrubber import Scrub\n",
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"from scrubber.protonate import AcidBaseConjugator\n",
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"from mobius.structure.vina import constrained_embed_multiple_confs"
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"from mobius.utils import MolFromHELM\n"
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]
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},
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{

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