Releases: deeptime-ml/deeptime
Releases · deeptime-ml/deeptime
v0.4.4
What's Changed
- remove print by @MaaikeG in #257
- Remove deprecated CK Test validator by @clonker in #258
- TV derivative and minor documentation fixes by @clonker in #260
- Lorenz system, Thomas attractor, Improvements regarding documentation, TV Derivative improvements by @clonker in #261
- Added an optional argument for specifying the tolerance in is_reversi… by @wehs7661 in #262
- Enable python 3.11 in CI pipelines by @clonker in #263
- pyproject.toml config by @clonker in #264
- Update for scikit-learn 1.2 by @clonker in #267
- cibuildwheel cleanup by @clonker in #268
New Contributors
Full Changelog: v0.4.3...v0.4.4
Contributors
clonker, MaaikeG, and wehs7661
Assets 2
Patch release v0.4.3
What's Changed
- CI: Update manifest to include npz data files, don't use editable install for nox make_docs by @clonker in #233
- plot energy surfaces by @clonker in #234
- Network plots by @clonker in #236
- plot fluxes by @clonker in #237
- Fix preprocess data call in SINDy by @clonker in #240
- Fix shape of empty count models by @MaaikeG in #239
- proper exception handling in trajectory-generating openmp block by @clonker in #242
- better error handling for trajectories dataset by @clonker in #243
- [ci] fix python 3.8 by @clonker in #244
- Convergence warning bugfix by @MaaikeG in #245
- Fix the bug by @MaaikeG in #246
- Contour and density plot utility functions by @clonker in #247
- py38 by @clonker in #249
- [setup] exclude examples, docs, devtools when packaging by @clonker in #250
- Var_cutoff can be disabled in covariance koopman models. Fixes #254. by @clonker in #255
Full Changelog: v0.4.2...v0.4.3
Contributors
clonker and MaaikeG
Assets 2
Patch release v0.4.2
What's Changed
- new tram notebook version by @MaaikeG in #210
- add device option for TAE class by @philipyoung9561 in #211
- Docs update by @clonker in #213
- Use CMake as primary build system via scikit-build by @clonker in #215
- Tram experiments by @MaaikeG in #214
- use Agg backend in plotting tests by @clonker in #216
- Fix bug in statdist caching for msms by @clonker in #219
- Tram experiments by @MaaikeG in #217
- typos in _koopman.py by @KirillShmilovich in #221
- Disable TF-32 tensor cores for VAMPNET training by @yuxuanzhuang in #222
- Small doc fixes and update testing dependencies by @clonker in #223
- pyproject.toml: use dynamic version by @clonker in #226
- Update versioneer and run cython from CMake by @clonker in #228
- [datasets] correct 1D triple well docs by @thempel in #229
- update project metadata by @clonker in #230
- Fix in setup by @clonker in #231
- update manifest to include cmakelists by @clonker in #232
New Contributors
- @philipyoung9561 made their first contribution in #211
- @KirillShmilovich made their first contribution in #221
- @yuxuanzhuang made their first contribution in #222
Full Changelog: v0.4.1...v0.4.2
Contributors
clonker, thempel, and 4 other contributors
Assets 2
Patch release v0.4.1
What's Changed
- Update readme and use pyroject.toml in setup by @clonker in #197
- Hotfix tramdataset by @MaaikeG in #196
- Finish progress callbacks by @clonker in #198
- Log space sample weights by @MaaikeG in #199
- Implied timescales plot by @clonker in #200
- Make sample weights normalized by @MaaikeG in #201
- Fix numpy deprecated warning by @MaaikeG in #204
- New Chapman-Kolmogorov test implementation by @clonker in #202
- Update validation loss on TAE by @clarktemple03 in #205
- Fix the calculation of the PMF. by @MaaikeG in #206
- Mbar initialization for tram by @MaaikeG in #207
- Minor changes by @clonker in #208
- fix TRAM bug by @MaaikeG in #209
New Contributors
- @clarktemple03 made their first contribution in #205
Full Changelog: v0.4.0...v0.4.1
Contributors
clonker, MaaikeG, and clarktemple03
Assets 2
Minor release: Introducing TRAM
What's Changed
- Catch2 unit tests infrastructure by @clonker in #170
- Compile time index and include dir hierarchy by @clonker in #171
- Use mamba over conda for CI by @clonker in #172
- Fix mapping states back to symbols by @clonker in #174
- Minor docs updates by @clonker in #176
- Some cleanup refactoring by @clonker in #177
- Fix state assignments in HMM submodels by @thempel in #178
- Flaky test support by @clonker in #179
- TRAM by @MaaikeG in #168
- Minor documentation fixes for TRAM by @clonker in #181
- TOC and a bugfix by @MaaikeG in #182
- Unify header location and fix gil scoped release issues by @clonker in #184
- TRAM tests by @MaaikeG in #183
- Update installation instructions by @clonker in #186
- TRAM model by @MaaikeG in #185
- Bump numpy from 1.19.3 to 1.21.0 in /tests by @dependabot in #187
- Allow KMeans with no iterations by @thempel in #189
- TRAM docs and a unit test by @MaaikeG in #188
- TRAM docs - last little things by @MaaikeG in #190
- TRAM Progress bar handling by @MaaikeG in #191
- Fix submodel_disconnect and add test by @thempel in #193
- Refactor by @MaaikeG in #192
- Trajectory fragments: split on negative state indices by @MaaikeG in #194
- Cluster progress by @clonker in #195
New Contributors
- @MaaikeG made their first contribution in #168
- @dependabot made their first contribution in #187
Full Changelog: v0.3.1...v0.4.0
Contributors
clonker, thempel, and 2 other contributors
Assets 2
Minor patch release
Contributors
clonker and thempel
Assets 2
Patch release
Patch release for custom metrics handling
Patch release
v0.2.9 patch release
Patch release
v0.2.8 patch release
Patch release
v0.2.7 patch release