Triple

T7150640
Position Surface form Disambiguated ID Type / Status
Subject density functional theory E166680 entity
Predicate implementedIn P2539 FINISHED
Object NWChem
NWChem is an open-source, high-performance computational chemistry software package designed for large-scale molecular simulations and electronic structure calculations on parallel computing architectures.
E645126 NE FINISHED

How this triple was built (4 steps)

Every LLM step that produced this triple, in pipeline order — named-entity classification, the disambiguation choices (the exact options shown, with the pick highlighted), and the generated description. The batch + timestamp of each is in the Provenance table below.

NER Named-entity recognition gpt-5-mini
Instruction
Given a phrase, classify it is english named entity (e.g., persons, organizations, works of art) in Latin script, or not (e.g., literals, dates, URLs, verbose phrases). For disambiguation, the statement where the phrase occurs as object is also given. Please return a JSON object with `phrase` (string, the phrase being analyzed) and `is_ne` (boolean, indicating whether the phrase is a Named Entity).
Input
Phrase: NWChem | Statement: [density functional theory, implementedIn, NWChem]
NED1 Entity disambiguation (via context triple) gpt-5-mini-2025-08-07
Target entity: NWChem
Context triple: [density functional theory, implementedIn, NWChem]
  • A. MOPAC
    MOPAC is the strategic oversight body responsible for holding the Metropolitan Police Service in London to account and setting policing priorities on behalf of the Mayor.
  • B. Extended Hückel method
    The Extended Hückel method is a semi-empirical quantum chemistry approach developed by Roald Hoffmann to approximate molecular electronic structure and bonding using simplified orbital interactions.
  • C. Electronic Structures of Molecules
    Electronic Structures of Molecules is a foundational scientific work by Robert S. Mulliken that systematically develops molecular orbital theory and its application to understanding the electronic properties and bonding of molecules.
  • D. Division of Computers in Chemistry
    The Division of Computers in Chemistry is a specialized unit of the American Chemical Society that focuses on the development and application of computational methods and computer technologies in chemical research and education.
  • E. Kvant docking module
    The Kvant docking module was an add-on component of the Mir space station that provided additional docking ports and support for visiting spacecraft and modules.
  • F. None of above. chosen
  • G. Unsure - the case is ambiguous/there is not enough information to decide.
NEDg Description generation gpt-5.1
Instruction
Generate a one-sentence description of the target entity. 
You are given a context triple in the form (subject, predicate, object), where the object is the target entity. 
# Instructions
Use the triple to infer relevant information about the entity. Describe the entity based on what is most defining, well-known. 
Avoid repeating the information from the triple, unless really essential.
# Response Format
Return only the sentence: "Description: [one-sentence description of the target entity]"
Input
Entity: NWChem
Triple: [density functional theory, implementedIn, NWChem]
Generated description
NWChem is an open-source, high-performance computational chemistry software package designed for large-scale molecular simulations and electronic structure calculations on parallel computing architectures.
NED2 Entity disambiguation (via description) gpt-5-mini-2025-08-07
Target entity: NWChem
Target entity description: NWChem is an open-source, high-performance computational chemistry software package designed for large-scale molecular simulations and electronic structure calculations on parallel computing architectures.
  • A. MOPAC
    MOPAC is the strategic oversight body responsible for holding the Metropolitan Police Service in London to account and setting policing priorities on behalf of the Mayor.
  • B. Extended Hückel method
    The Extended Hückel method is a semi-empirical quantum chemistry approach developed by Roald Hoffmann to approximate molecular electronic structure and bonding using simplified orbital interactions.
  • C. Electronic Structures of Molecules
    Electronic Structures of Molecules is a foundational scientific work by Robert S. Mulliken that systematically develops molecular orbital theory and its application to understanding the electronic properties and bonding of molecules.
  • D. Division of Computers in Chemistry
    The Division of Computers in Chemistry is a specialized unit of the American Chemical Society that focuses on the development and application of computational methods and computer technologies in chemical research and education.
  • E. Kvant docking module
    The Kvant docking module was an add-on component of the Mir space station that provided additional docking ports and support for visiting spacecraft and modules.
  • F. None of above. chosen

Provenance (5 batches)

The batch behind each pipeline step, in order, with when it ran. Timestamps are batch-level — stages were processed in waves, so the object chain (NER → NED1 → NEDg → NED2) reads in order, but predicate / elicitation batches can sit in a different wave.

Step Stage Batch ID Status When
creating Elicitation batch_69c68886779c8190a8e3fbabffe68253 completed March 27, 2026, 1:39 p.m.
NER Named-entity recognition batch_69c6e7f28b188190b1732ca711666531 completed March 27, 2026, 8:26 p.m.
NED1 Entity disambiguation (via context triple) batch_69c7ada940e08190b16e97e363801e75 completed March 28, 2026, 10:30 a.m.
NEDg Description generation batch_69c7ae5767408190860c1c7bc3a769fa completed March 28, 2026, 10:32 a.m.
NED2 Entity disambiguation (via description) batch_69c7aeb68c3481909c6dff8ee51349ab completed March 28, 2026, 10:34 a.m.
Created at: March 27, 2026, 2:46 p.m.