mandos/model/concrete_hits.py | 198 | A 0 mins |
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mandos/model/hit_dfs.py | 70 | A 1 hr |
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mandos/model/hits.py | 113 | A 0 mins |
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mandos/model/mappings.py | 82 | A 0 mins |
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mandos/model/search_caches.py | 59 | A 1 hr |
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mandos/model/searches.py | 127 | A 1 hr |
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mandos/model/settings.py | 204 | A 25 mins |
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mandos/model/taxonomy.py | 476 | C 1 day |
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mandos/model/taxonomy_caches.py | 205 | A 1 hr |
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mandos/model/utils/__init__.py | 18 | A 0 mins |
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mandos/model/utils/globals.py | 23 | A 0 mins |
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mandos/model/utils/rdkit_utils.py | 97 | A 0 mins |
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mandos/model/utils/scrape.py | 66 | A 0 mins |
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mandos/model/utils/setup.py | 10 | A 0 mins |
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mandos/model/utils/sources.py | 72 | A 3 hrs |
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mandos/resources/args_example.toml | |
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mandos/resources/default_settings.json | |
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mandos/resources/hazards.json | |
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mandos/resources/mappings/@chembl_activities.flexwf | |
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mandos/resources/mappings/@drugbank_activities.flexwf | |
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mandos/resources/mappings/@pubchem_bioactivity_keywords.flexwf | |
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mandos/resources/mappings/@targets_neuro.flexwf | |
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mandos/resources/nt650.toml | |
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mandos/resources/strategies/@group_family.strat | |
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mandos/resources/strategies/@group_smart_all.strat | |
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mandos/resources/strategies/@group_smart_family1.strat | |
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mandos/resources/strategies/@group_smart_nofamily.strat | |
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mandos/resources/strategies/@group_smart_nosel.strat | |
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mandos/resources/strategies/@group_smart_nosel_family1.strat | |
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mandos/resources/strategies/@group_smart_nosel_nofamily.strat | |
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mandos/resources/strategies/@group_stupid_all.strat | |
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mandos/resources/strategies/@group_stupid_nosel.strat | |
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mandos/resources/strategies/@null.strat | |
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mandos/resources/strategies/@split_flex.strat | |
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mandos/resources/strategies/@split_strict.strat | |
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mandos/resources/strategies/@split_sweep_flex.strat | |
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mandos/resources/strategies/@split_sweep_strict.strat | |
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mandos/resources/strings.json | |
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mandos/resources/viz/example.mplstyle | |
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mandos/resources/viz/page_dims.json | |
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mandos/resources/viz/palettes.json | |
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mandos/resources/viz/style_override.json | |
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mandos/search/__init__.py | 0 | A 0 mins |
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mandos/search/chembl/__init__.py | 35 | A 0 mins |
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mandos/search/chembl/_activity_search.py | 109 | B 4 hrs |
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mandos/search/chembl/_protein_search.py | 103 | A 45 mins |
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mandos/search/chembl/atc_search.py | 49 | A 0 mins |
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mandos/search/chembl/binding_search.py | 65 | A 0 mins |
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mandos/search/chembl/functional_search.py | 54 | A 0 mins |
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mandos/search/chembl/go_search.py | 59 | A 2 hrs |
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