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.