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jmborr
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idpflex
Analysis of intrinsically disordered proteins by comparing MD simulations to Small Angle Scattering experiments
http://idpflex.readthedocs.io/en/latest/
MIT License
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Bump wheel from 0.29.0 to 0.38.1
#112
dependabot[bot]
opened
1 year ago
0
Bump pip from 9.0.1 to 21.1
#111
dependabot[bot]
opened
2 years ago
0
Bump pip from 9.0.1 to 19.2
#110
dependabot[bot]
closed
2 years ago
1
Bump pyyaml from 3.11 to 5.4
#109
dependabot[bot]
opened
3 years ago
0
Bump cryptography from 1.7 to 3.2
#108
dependabot[bot]
opened
3 years ago
0
Bump pyyaml from 3.11 to 5.1
#107
dependabot[bot]
closed
3 years ago
1
Consistent parameters for Composite models for single structures versus multiple structures
#106
ConnorPigg
opened
5 years ago
2
TabulatedModel x fitting data that works for single property or property group
#105
ConnorPigg
opened
5 years ago
1
Ribosome Fitting
#104
ConnorPigg
closed
5 years ago
6
Allow arbitrary mathematical models for each property when fitting
#103
ConnorPigg
opened
5 years ago
1
Fitting with multiple initial guesses
#102
ConnorPigg
opened
5 years ago
1
100 refactor fitting for feature sets
#101
ConnorPigg
opened
5 years ago
1
Refactor fitting to allow sets of properties (feature vectors)
#100
ConnorPigg
opened
5 years ago
0
Interpolate profiles to experimental qvalues/xvalues
#99
ConnorPigg
opened
5 years ago
0
92 calculate trajectory profiles
#98
ConnorPigg
opened
5 years ago
1
93 sans loader additions
#97
ConnorPigg
closed
5 years ago
0
Switch ClusterNodeX to use PropertyDict
#96
ConnorPigg
closed
5 years ago
0
93 sans loader additions
#95
ConnorPigg
closed
5 years ago
0
Unit testing the feature vector branch
#94
ConnorPigg
closed
5 years ago
0
Add more options for SansLoaderMixin
#93
ConnorPigg
closed
5 years ago
0
Calculate profiles for trajectories
#92
ConnorPigg
opened
5 years ago
0
Create feature vector from a set of properties
#91
jmborr
closed
5 years ago
1
Create feature vector from a set of properties
#90
jmborr
closed
5 years ago
0
Add a conda build recipe
#89
jmborr
closed
5 years ago
0
Add a conda build recipe
#88
jmborr
closed
5 years ago
0
cluster random distance
#87
jmborr
closed
5 years ago
0
decorator to create a namedtuple out of a dictionary
#86
jmborr
closed
5 years ago
0
decorator to create a namedtuple out of a dictionary
#85
jmborr
closed
5 years ago
0
cluster random distance
#84
jmborr
closed
5 years ago
0
drop support for python 2.x
#83
jmborr
closed
5 years ago
0
drop support for python 2.x
#82
jmborr
closed
5 years ago
0
add function fit_at_depth
#81
jmborr
closed
5 years ago
0
add function fit_at_depth
#80
jmborr
closed
5 years ago
0
Check for DSSP output in the example notebook
#79
jmborr
closed
5 years ago
0
Check for DSSP output in the example notebook
#78
jmborr
closed
5 years ago
0
Check for crysol output in the example notebook
#77
jmborr
closed
5 years ago
0
Add readthedocs configuration for build with conda
#76
jmborr
closed
5 years ago
0
Add readthedocs configuration for build with conda
#75
jmborr
closed
5 years ago
0
Statement of Need in the documentation
#74
jmborr
closed
5 years ago
0
Check for crysol output in the example notebook
#73
jmborr
closed
5 years ago
0
Statement of Need in the documentation
#72
jmborr
closed
5 years ago
0
Submission to JOSS
#71
jmborr
closed
6 years ago
0
Submission to JOSS
#70
jmborr
closed
6 years ago
0
Incorrect recapitulation of weight clusters in notebook example
#69
jmborr
closed
6 years ago
0
Incorrect recapitulation of weight clusters in notebook example
#68
jmborr
closed
6 years ago
0
Piece `cluster_trajectory()` into its components
#67
jmborr
closed
6 years ago
0
Piece `cluster_trajectory()` into its components
#66
jmborr
closed
6 years ago
0
Add a property to calculate asphericity
#65
jmborr
closed
6 years ago
0
Add a property to calculate solvent accessible surface area
#64
jmborr
closed
6 years ago
0
implement K-means clustering
#63
jmborr
closed
6 years ago
1
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