PyHDX

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Allow peptides to be deferentially weighted in fits

Jhsmit

Users need to receive more goodness of fit feedback for the D-uptake fit: - [ ] Loss / regualizer loss - [ ] N epochs - [ ] Overall MSE...

Jhsmit

In some use cases users want to include only peptides common to all HDX measurements. Ideally, a new `HDXMeasurementSet` could be created from an existing one, where only intersecting peptides...

Jhsmit

Refactor loading data

1

Large refactoring of how data is loaded into the `HDXMeasurement` object. - Removed the `PeptideMasterTable` object in favor of a functional approach with functions `filter_peptides`, `apply_control` and `correct_d_uptake` - Updated...

Jhsmit

Refresh c_term n_term defaults when switching experiment state

2

When selecting measurement with a different sequence length, (n_term) / c_term should update

Jhsmit

To account for purification tags, sometimes the residue number needs to be offset This would require adding a 'residue_offset' field to PeptideInput controller; as well as the .yaml HDX measurement...

Jhsmit

In web/views.py:486: new_df[self.err_neg] = ...

Jhsmit

Jhsmit

Loss information for every epoch makes the files very big and is unnecessary. Probably should be downsampled before export

Jhsmit

``` 'utf-8', b'PK\x03\x04\x14\x00\x00\x00\x00\x00`j\x88T\t\xbe\x98\x13\x7f\x1f\x00\x00\x7f\x1f\x00\x00!\x00\x00\x00comparison_1_SctW_WT_Kinetics.pmlset_c File "C:\Users\jhs\Miniconda3\envs\py38_pyhdx_deploy\lib\site-packages\panel\param.py", line 449, in link_widget self.object.param.set_param(**{p_name: change.new}) File "C:\Users\jhs\Miniconda3\envs\py38_pyhdx_deploy\lib\site-packages\param\parameterized.py", line 1904, in set_param return self_.update(kwargs) File "C:\Users\jhs\Miniconda3\envs\py38_pyhdx_deploy\lib\site-packages\param\parameterized.py", line 1877, in update self_._batch_call_watchers() File "C:\Users\jhs\Miniconda3\envs\py38_pyhdx_deploy\lib\site-packages\param\parameterized.py", line 2038,...

Jhsmit