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  2. Conformer generation and molecular minimisation — CSD Python API…

    https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/conformer.html
    28 Mar 2024: By default the conformer generator will attempt to generate 200 conformers, but this number can be changed by the user. ... Let us change it to 25. >>> conformer_generator.settings.max_conformers 200 >>> conformer_generator.settings.max_conformers = 25.
  3. Editing molecules — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/molecule_editing.html
    28 Mar 2024: 3.669)) >>> a4 = Atom('C', coordinates=(-1.327, -3.345, 3.075)) >>> a5 = Atom('C', coordinates=( 0.200, -3.055, 2.977)) >>> a6 = Atom('C', coordinates=( 0.447, -1.874,
  4. Substructure searching — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/substructure_searching.html
    28 Mar 2024: Because this aromatic methoxy substructure is quite common in the CSD, we will limit our maximum number of hits to 200. ... ar_methoxy_hits = ar_methoxy_search.search(max_hit_structures=200, max_hits_per_structure=1) >>> len(ar_methoxy_hits) 200. To get
  5. Utilities — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/utilities.html
    28 Mar 2024: It may be populated by adding values:. >>> h.add_values([-1.0 0.01i for i in range(200)]) >>> print(h.frequencies) (10, 10, 10,. ).
  6. Release notes — CSD Python API 3.1.0 documentation

    https://downloads.ccdc.cam.ac.uk/documentation/API/release_notes.html
    28 Mar 2024: See Grids for details. the SQLite file distributed for use by the API contains over 200,000 entries that have anisotropic displacement parameters (ADPs), and nearly 2,000 further entries with
  7. Network Ranking With Bethe Pseudomarginals Kui TangColumbia…

    https://mlg.eng.cam.ac.uk/adrian/2013_NeurIPS_DiscML_Network.pdf
    21 Mar 2024: We drew independent nodescores from a mixture of Gaussians and a scale free network (100 nodes, 200 edges) from the Barabsi-Albertmodel [12].
  8. Beyond Distributive Fairness in Algorithmic Decision Making: Feature…

    https://mlg.eng.cam.ac.uk/adrian/AAAI18-BeyondDistributiveFairness.pdf
    21 Mar 2024: For a given dataset, we gather responses to the abovequestions from 200 different AMT workers (that is, each fea-ture is judged by 200 different workers).
  9. 21 Mar 2024: Understanding the Bethe Approximation: When and How can it go Wrong? Adrian WellerColumbia UniversityNew York NY 10027. adrian@cs.columbia.edu. Kui TangColumbia UniversityNew York NY 10027. kt2384@cs.columbia.edu. David SontagNew York UniversityNew
  10. 2018 Formatting Instructions for Authors Using LaTeX

    https://mlg.eng.cam.ac.uk/adrian/AIES18-crowd_signals.pdf
    21 Mar 2024: Weuse this set of 200 labeled tweets as our ground truth dataset.
  11. Now You See Me (CME): Concept-based Model Extraction

    https://mlg.eng.cam.ac.uk/adrian/AIMLAI20-CME.pdf
    21 Mar 2024: This dataset consists of 11,788 im-ages of 200 bird species with every image annotatedusing 312 binary concept labels (e.g. ... 28] C. Wah, S. Branson, P. Welinder, P. Perona, S. Be-longie, The caltech-ucsd birds-200-2011 dataset(2011).

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