PyHDX

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What happens is a peptides prolines only? Or shorter than drop_first? Trailing prolines are up to drop_first?

Jhsmit

torch performace in dask seems worse

1

it seems that fitting deltaG's through the web interface where dask fit the pytorch model is (much) worse then running directly without dask

Jhsmit

Jhsmit

add py3.10

1

Add support for python 3.10

Jhsmit

``` Re File "C:\Users\jhs\Miniconda3\envs\py38_pyhdx_040\lib\site-packages\param\parameterized.py", line 2021, in _ex watcher.fn(*args, **kwargs) File "C:\Users\jhs\Miniconda3\envs\py38_pyhdx_040\lib\site-packages\panel\param.py", line 474, in action value(self.object) File "C:\Users\jhs\Programming\pyhdx_stable\pyhdx\web\views.py", line 513, in Fir reset = param. Action (lambda self: self._action_reset())...

Jhsmit

``` FutureWarning: The behavior of `series[i:j]` with an integer-dtype index is deprecated. In a future version, this will be treated as *label-based* indexing, consistent with e.g. `series[i]` lookups. To retain...

Jhsmit

HDExaminer conversion and allow replicates

2

models.py Changes were made to the HDXMeasurement init function to allow the original HDX-MS data to contain replicates. HDExaminer output can contain either summary data for every fit spectrum or...

tuttlelm

yaml without FD_control

2

Hi, is it no longer possible to set backexchange by fixed percentage ? I tried based on #303 but it seems that no longer works after the data loading rework.

Arthanis58

HDExaminer data support

3

PyHDX currently only directly accepts data formatted as 'state data' output from DynamX The issue is a continuation of discussion opened by @tuttlelm at #348: > Related to coming from...

Jhsmit

Bumps [torch](https://github.com/pytorch/pytorch) from 2.0.1 to 2.2.0. Release notes Sourced from torch's releases. PyTorch 2.2: FlashAttention-v2, AOTInductor PyTorch 2.2 Release Notes Highlights Backwards Incompatible Changes Deprecations New Features Improvements Bug fixes...

dependabot[bot]