Jochem Smit
Jochem Smit
Instances of `HDXMeasurementSet` are sometimes referred to as `hdx_set` but mostly as `hdxm_set` This should always be `hdxm_set`
It should be possible to invoke pyhdx from the command line Something like: ``` $ pyhdx process ``` where `data_spec ` specifies files / temperature / pH etc, where files...
Supported types should be: - DynamX csv - HDExaminer csv - Some open standard csv format? unify column headers? Also, there should be some option/assumption on the time units.
Check literature for influence of deuteration percentage on the intrinsic rate of exchange
There should be an option to synchronize x range on all graphs with residue numbers
github.com/diffeqml/torchdyn
When dataframe with fit results are generated, sequence information should be added as well. This makes reading and aligning/checking data in further postprocessing steps easier. For global fitting, that should...