MDAnalysis / mdanalysis Public

Notifications
Fork 638
Star 1.2k

Code
Issues 410
Pull requests 55
Discussions
Actions
Projects 5
Wiki
Security
Insights

Additional navigation options

Code
Issues
Pull requests
Discussions
Actions
Projects
Wiki
Security
Insights

Issues: MDAnalysis/mdanalysis

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

410 Open 1,765 Closed

Author

Filter by author

Label

Filter by label

Use alt + click/return to exclude labels

or ⇧ + click/return for logical OR

Projects

Filter by project

Milestones

Filter by milestone

Assignee

Filter by who’s assigned

Assigned to nobody

Sort

Sort by

Newest Oldest Most commented Least commented Recently updated Least recently updated Best match

Most reactions

Issues list

macOS python3.11 fails to install mdanalysis[all] from git branch directly (not always though)

#4586 opened May 2, 2024 by marinegor

Add example for writing to NamedStream StringIO buffer Component-Docs

#4583 opened May 1, 2024 by hmacdope

Unpin mypy rdkit version

#4581 opened Apr 28, 2024 by IAlibay

Benchmark guessers with asv benchmarks

performance benchmarking with ASV

#4577 opened Apr 24, 2024 by lilyminium

Explore solutions for codecov upload failures

#4576 opened Apr 23, 2024 by RMeli

Add code coverage options due to many codecov failures recently

#4574 opened Apr 21, 2024 by marinegor

TST, MAINT: test_thread_limit_apply failure with NumPy 2.1.0.dev maintainability

#4570 opened Apr 19, 2024 by tylerjereddy

PDB Reader can stream from AWS s3 buckets with minimal modification

#4568 opened Apr 19, 2024 by ljwoods2

AlignTraj doesn't accept writer kwargs

#4564 opened Apr 12, 2024 by ljwoods2

Create sugar or carbohydrate selection using GLYCAM nomenclature Component-Selections Difficulty-easy enhancement help wanted

#4563 opened Apr 12, 2024 by hmacdope

H5MDReader/Writer undocumented limitations Component-Docs Format-H5MD

hdf5-based H5MD trajectory format

#4561 opened Apr 8, 2024 by edisj

BUG: streamlines only returns the dx_array, dy_array of last frame Component-Analysis defect

#4549 opened Apr 1, 2024 by lilyminium

remove MDAnalysis.visualization in 3.0 Component-Visualization remove-3.0