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element parsing and channels#41

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aangaji wants to merge 1 commit intomainfrom
element_channels
Open

element parsing and channels#41
aangaji wants to merge 1 commit intomainfrom
element_channels

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@aangaji
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@aangaji aangaji commented Jun 27, 2022

  1. Element parsing: changed encoding to s3 (for instance Ca, Cl, but also weird ones like Uut)
  2. Element channels:
    - there are three pairs, i tried to update all holograms/holograms_zach/zernikegrams
    - element channels declared in get_ file and passed as kwrg to get_hologram method
    - new Unk channel for elements other than those that have a dedicated channel
  • feel free to change element channels, P, F, and Cl just seem to be the most common ones
  • there might still be some hard-coded shapes from the old channels which don't work with arbitrary number of channel
  • pls make sure this branch works before merging (or just don't merge and train a new model on this branch)

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