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Conformer generation and molecular minimisation — CSD Python API…
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/conformer.html28 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. -
Editing molecules — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/molecule_editing.html28 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, -
Substructure searching — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/substructure_searching.html28 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 -
Utilities — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/descriptive_docs/utilities.html28 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,. ). -
Release notes — CSD Python API 3.1.0 documentation
https://downloads.ccdc.cam.ac.uk/documentation/API/release_notes.html28 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 -
IEEE JOURNAL OF BIOMEDICAL AND HEALTH IN-FORMATICS 1…
https://mobile-systems.cl.cam.ac.uk/papers/JBHI24Xia.pdf8 Apr 2024: Near OOD) Another dataset consisting of 200 ECGrecordings with a length of 178 was used as the nearOOD. ... For all the methods in this paper, we used a learningrate of 104, the Adam optimizer, a batch size of 64, anda maximum epoch of 200. -
Glass · 1A Collections
https://p1acollections.esc.cam.ac.uk/p1acollections/items/show/200.html9 Apr 2024: Citation. “Glass,” 1A Collections, accessed April 9, 2024, https://wserv3.esc.cam.ac.uk/p1acollections/items/show/200. Please note, scale bars are 1cm in hand specimen photographs and 1mm in -
Mark Wyatt
https://people.ast.cam.ac.uk/~wyatt/15 Apr 2024: being accreted onto the Earth is in grains between 100-200 micron in size is understood in terms of the interplay between Poynting-Robertson drag and collisions, this result has not -
MNRAS 000, 1–17 (2023) Preprint 25 October 2023 Compiled ...
https://people.ast.cam.ac.uk/~wyatt/ckkl23.pdf22 Mar 2024: 200. 0. 200. 400. µJy. /Bea. m. Figure 1. Naturally weighted ALMA 880𝜇m images of our BPMG M-dwarf sample. ... 0. 200. 400. µJy. /Bea. m. Figure 2. Naturally weighted ALMA 880𝜇m image of TYC 7443-1102-1.The stellar location is marked with a. -
Astronomy & Astrophysics manuscript no. SHARDDS ©ESO 2022August…
https://people.ast.cam.ac.uk/~wyatt/dmac22.pdf22 Mar 2024: 2009), we removed the contrast at 200 and 700 mas, whichled to multicollinearity, affecting potentially the definition of theclusters. ... 200 400 600 800 1000Radial distance (mas). 10 6. 10 5.
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