jmborr/idpflex

Issues

• Ribosome Fitting

  #104 opened 5 years ago by ConnorPigg
  6

• Consistent parameters for Composite models for single structures versus multiple structures

  #106 opened 5 years ago by ConnorPigg
  2

• TabulatedModel x fitting data that works for single property or property group

  #105 opened 5 years ago by ConnorPigg
  1

• Allow arbitrary mathematical models for each property when fitting

  #103 opened 5 years ago by ConnorPigg
  1

• Fitting with multiple initial guesses

  #102 opened 5 years ago by ConnorPigg
  1

• Refactor fitting to allow sets of properties (feature vectors)

  #100 opened 5 years ago by ConnorPigg
  0

• Interpolate profiles to experimental qvalues/xvalues

  #99 opened 5 years ago by ConnorPigg
  0

• Add more options for SansLoaderMixin

  #93 opened 5 years ago by ConnorPigg
  0

• Switch ClusterNodeX to use PropertyDict

  #96 opened 5 years ago by ConnorPigg
  0

• Create feature vector from a set of properties

  #90 opened 5 years ago by jmborr
  0

• Calculate profiles for trajectories

  #92 opened 5 years ago by ConnorPigg
  0

• Add a conda build recipe

  #88 opened 6 years ago by jmborr
  0

• cluster random distance

  #84 opened 6 years ago by jmborr
  0

• decorator to create a namedtuple out of a dictionary

  #85 opened 6 years ago by jmborr
  0

• drop support for python 2.x

  #82 opened 6 years ago by jmborr
  0

• add function fit_at_depth

  #80 opened 6 years ago by jmborr
  0

• Check for DSSP output in the example notebook

  #78 opened 6 years ago by jmborr
  0

• Add readthedocs configuration for build with conda

  #75 opened 6 years ago by jmborr
  0

• Check for crysol output in the example notebook

  #73 opened 6 years ago by jmborr
  0

• Statement of Need in the documentation

  #72 opened 6 years ago by jmborr
  0

• New release

  #47 opened 7 years ago by jmborr
  0

• Submission to JOSS

  #70 opened 6 years ago by jmborr
  0

• Incorrect recapitulation of weight clusters in notebook example

  #68 opened 6 years ago by jmborr
  0

• implement K-means clustering

  #63 opened 6 years ago by jmborr
  1

• Piece `cluster_trajectory()` into its components

  #66 opened 6 years ago by jmborr
  0

• Add a property to calculate asphericity

  #61 opened 6 years ago by jmborr
  0

• Add a property to calculate solvent accessible surface area

  #60 opened 6 years ago by jmborr
  0

• Add a property to calculate end-to-end distance

  #59 opened 6 years ago by jmborr
  0

• Update tutorial notebook to calculate and plot radius of gyration

  #57 opened 6 years ago by jmborr
  0

• plot histogram for ScalarProperty

  #55 opened 6 years ago by jmborr
  0

• Add Radius of Gyration property

  #53 opened 6 years ago by jmborr
  0

• modify docs to instruct how to download the data repository

  #51 opened 7 years ago by jmborr
  0

• Small changes to master

  #50 opened 7 years ago by jmborr
  0

• property for a residue contact map

  #37 opened 7 years ago by jmborr
  0

• Analysis on the fit for the hiAPP_clustering notebook

  #46 opened 7 years ago by jmborr
  0

• Jupyter notebook showing a example

  #44 opened 7 years ago by jmborr
  0

• Save the hierarchical tree with pickle

  #38 opened 7 years ago by jmborr
  0

• plot secondary structure for a node

  #41 opened 7 years ago by jmborr
  0

• Property for secondary structure

  #34 opened 7 years ago by jmborr
  0

• parallelize calls to an external executable

  #39 opened 7 years ago by jmborr
  0

• add an integration test that later should work as a tutorial

  #33 opened 7 years ago by jmborr
  0

• add a property for the hydrogen bond occupancy

  #36 opened 7 years ago by jmborr
  0

• add a plot method to the ProfileProperty

  #35 opened 7 years ago by jmborr
  0

• Release Milestone 1.1

  #31 opened 7 years ago by jmborr
  0

• Parallelize calculation of RMSD matrix

  #29 opened 7 years ago by jmborr
  0

• Fix some minor stuff when releasing to pypi and create tag

  #28 opened 7 years ago by jmborr
  0

• Enable travis to publish to pypi

  #22 opened 7 years ago by jmborr
  0

• Readthedocs does not publish the documentation correctly

  #23 opened 7 years ago by jmborr
  0

• cleanup temporary file in test

  #24 opened 7 years ago by jmborr
  0

• Create v0.1.0.0 tag

  #21 opened 7 years ago by jmborr
  0