Issues

• Github and PyPi versions out of sync

  ADicksonLab/wepy#141 · Filter by author alexrd opened on Sep 3, 2025
  1

• Reading weights from the HDF5 is slow

  bugenhancement
  ADicksonLab/wepy#123 · Filter by author alexrd opened on Nov 27, 2023 · Proper 1.2 version
  3

  

• Support multiple progress fields in BCDashboardSection

  ADicksonLab/wepy#122 · Filter by author salotz opened on Nov 21, 2023

• Mechanism to calculate ensemble based progress

  ADicksonLab/wepy#121 · Filter by author salotz opened on Nov 21, 2023

• Default BoundaryCondition DISCONTINUITY_TARGET_IDXS

  enhancement
  ADicksonLab/wepy#120 · Filter by author salotz opened on Nov 21, 2023

• Refactor and consistent handling of OpenMMState fields

  ADicksonLab/wepy#117 · Filter by author salotz opened on Nov 8, 2023
  2

• Try to detect dynamics errors post-segment

  enhancement
  ADicksonLab/wepy#116 · Filter by author salotz opened on Oct 27, 2023
  2

  

• Errorless cleanup of un-initialized HDF5 files

  bugenhancement
  ADicksonLab/wepy#115 · Filter by author salotz opened on Oct 24, 2023 · Proper 1.2 version
  

• Runtime error in WepyHDF5

  ADicksonLab/wepy#112 · Filter by author SamikBose opened on Oct 20, 2023
  3

• Handle saving of OpenMM IntegratorParameters State data type

  enhancement
  ADicksonLab/wepy#104 · Filter by author salotz opened on Oct 14, 2023

• Proper error handling for missing OpenMM state variables

  bug
  ADicksonLab/wepy#102 · Filter by author salotz opened on Oct 14, 2023

• Change simtk.unit to openmm.unit

  enhancement
  ADicksonLab/wepy#100 · Filter by author salotz opened on Oct 13, 2023

• Get wepy_test_drive working again

  bug
  ADicksonLab/wepy#98 · Filter by author salotz opened on Oct 9, 2023

• Get Examples working again

  documentation
  ADicksonLab/wepy#97 · Filter by author salotz opened on Oct 9, 2023

• Support for distributed work mappers

  enhancement
  ADicksonLab/wepy#91 · Filter by author alexrd opened on Oct 6, 2023

• Add support for GROMACS

  enhancement
  ADicksonLab/wepy#90 · Filter by author alexrd opened on Oct 6, 2023

• Clean lint

  devexenhancement
  ADicksonLab/wepy#84 · Filter by author salotz opened on Aug 31, 2023 · Proper 1.2 version
  1

• Conda package

  distributionenhancement
  ADicksonLab/wepy#82 · Filter by author salotz opened on Aug 31, 2023

• Remove networkx version limitation

  dependenciesenhancement
  ADicksonLab/wepy#81 · Filter by author salotz opened on Aug 31, 2023 · 2.0 Release

• Working build and deployment of documentation

  documentation
  ADicksonLab/wepy#79 · Filter by author salotz opened on Aug 31, 2023

• h5py > v3 support

  bugdependencies
  ADicksonLab/wepy#78 · Filter by author salotz opened on Aug 31, 2023 · 2.0 Release

• set_nodes_field in MacroStateNetwork

  documentation
  ADicksonLab/wepy#75 · Filter by author BK33333 opened on Jul 7, 2023
  1

• Incorrect output from parent_table_discontinuities function

  bug
  ADicksonLab/wepy#74 · Filter by author kilince opened on Jun 12, 2023

• HDF5 file reading error

  bug
  ADicksonLab/wepy#56 · Filter by author ndonyapour opened on Oct 19, 2022
  5

• Optimized cycle slicing routines

  enhancement
  ADicksonLab/wepy#37 · Filter by author salotz-sitx opened on Sep 21, 2021 · 2.0 Release