This repository has been archived by the owner on Sep 11, 2023. It is now read-only.

Commits

Commits on Sep 11, 2023

Update README.rst
clonker
committedSep 11, 2023
Update README.rst
clonker
committedSep 11, 2023

Commits on Sep 9, 2023

Replace usage of np.float with float (#1596 )
comecattin
committedSep 9, 2023
Update install_miniconda+pyemma.sh (#1612 )
songyongshun
committedSep 9, 2023

Commits on Apr 4, 2023

Substitute uses of numpy.bool with numpy.bool_ (#1592 )
evilsetg
committedApr 4, 2023

Commits on Mar 16, 2023

Added an optional argument for specifying the tolerance in the class MSM (#1579 )

wehs7661
and
clonker
committedMar 16, 2023

Commits on Sep 9, 2022

Fix tests, use deeptime double well discrete data. (#1574 )
clonker
committedSep 9, 2022

Commits on Sep 7, 2022

Change ipywidgets version check to use __version__. Fixes #1571 . (#1573 )
clonker
committedSep 7, 2022

Commits on May 25, 2022

Use spawn() for multiprocessing instead of fork() (#1565 )
sents
committedMay 25, 2022

Commits on Apr 27, 2022

Deprecations for coordinates api (#1557 )
clonker
committedApr 27, 2022
Update README.rst
clonker
committedApr 27, 2022
remove pybind submodule (#1556 )
clonker
committedApr 27, 2022

Commits on Apr 26, 2022

Remove msmtools (#1555 )
clonker
committedApr 26, 2022

Commits on Mar 17, 2022

Remove bhmm as dependency (#1550 )
clonker
committedMar 17, 2022

Commits on Mar 1, 2022

fix pdb LRU cache (#1545 )
clonker
committedMar 1, 2022

Commits on Feb 16, 2022

update deeptime clustering include (#1540 )
clonker
committedFeb 16, 2022

Commits on Jan 13, 2022

use mambabuild in CI and fix rmsd computation in clustering (#1531 )
clonker
committedJan 13, 2022

Commits on Jan 10, 2022

fix comparison warnings in reader utils (#1530 )
sroet
committedJan 10, 2022

Commits on Dec 26, 2021

Only pass copy of trajectory list to mdtraj.load and (CI) update macos image (#1526 )
clonker
committedDec 26, 2021

Commits on Dec 17, 2021

Fix periodic width initialization in umbrella sampling (#1522 )
sefalkner
committedDec 17, 2021

Commits on Nov 2, 2021

save_trajs support for fragmented data source (#1514 )
clonker
committedNov 2, 2021

Commits on Jul 26, 2021

Update README to include azure pipelines badge
clonker
committedJul 26, 2021

Commits on Jul 20, 2021

Update types.py (#1503 )
sroet
committedJul 20, 2021
Use int instead of numpy.int (#1504 )
sroet
committedJul 20, 2021
[CI] azure pipelines setup (#1505 )
clonker
committedJul 20, 2021

Commits on Jul 19, 2021

Set up CI with Azure Pipelines
clonker
committedJul 19, 2021

Commits on Feb 26, 2021

[plots] remove print statement
clonker
committedFeb 26, 2021
fix its plot (#1491 )
clonker
committedFeb 26, 2021

Commits on Feb 24, 2021

Fixes (#1490 )
clonker
committedFeb 24, 2021

Commits on Feb 19, 2021

Fix minor warnings and generalize ITS plot (#1489 )
clonker
committedFeb 19, 2021

Commits on Feb 5, 2021

[coordinates] fix source docstring [ci skip]
thempel
committedFeb 5, 2021

Commits on Jan 29, 2021

Merge pull request #1488 from clonker/njobs
clonker
committedJan 29, 2021

Commits on Jan 28, 2021

warn if n_jobs is negative and default to logical cores (#1486 )
clonker
committedJan 28, 2021
[ci/appveyor] use newer image
clonker
committedJan 28, 2021
update notebooks' n_jobs usage (#1486 )
clonker
committedJan 28, 2021