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```python
1 import scipy.io as sio
3 # Read the MTX file
----> 4 matrix = sio.mmread('/storage/wangshouwenLab/limited_shared_folder/analysis/shouwen/DMR_analysis/matrix/matrix.mtx.gz'…
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While processing a small molecule MicroED dataset in `DIALS 3.dev.905-gd74643ba9`, I encountered a strange behavior of `dials.cosym`.
The attachment [221128_cosym_bug.tgz](https://github.com/dials/…
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When trying to understand the path/identification/equality types, I'm looking for examples of what they can, and also CANNOT be. It's gratifying to read the example in Euclidean geometry of congruenc…
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In some cases, breaking the symmetry of a real GHF solution by adding a few `0.1j` to the dm (or rotate it with complex coefficients) helps us find a lower complex solution. But currently, it seems th…
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**Is your feature request related to a problem? Please describe.**
I am taking the results of QCEngine calculations and using them to compute thermodynamic properties. Would QCElemental be a good hom…
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This is because stage.2.dataimport downloaded an empty Components-inchi file. I fixed this by copying in the Components-inchi file from 2018 week 4 and rerunning on both staging and production. The or…
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Thank you for open-sourcing this.
Looking at definition of analytic signals, I've noted the transform from real to analytic to be `s(t) -> s(t) + js^(t)`, i.e. the _real part is preserved_. For eve…
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@hasan-sayeed
Some things we'll need:
- Michael's representation - where we have a function that takes a CIF (preferable encoded as a pymatgen `Structure` object) and outputs Michael's representa…
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I believe I have identified two issues with Box2BoxTransformRotated that are related to notions of orientation and symmetry.
During training, boxes are matched based on their pairwise rotated iou, …
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Could have sworn I submitted a request for this in the past, but I don't see it anywhere so here it is.
Instanced components should have an option for bilateral symmetry, in which case:
1) The num…