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An open API service for software projects hosted on Open Collective.

WESTPA

Highly scalable software for running extended-timescale simulations with any dynamics engine
Collective - Host: opensource - https://opencollective.com/westpa - Website: https://westpa.github.io/westpa/ - Code: https://github.com/westpa/westpa

pin test env to numpy<2

github.com/westpa/westpa - jeremyleung521 opened this pull request 22 days ago
Codecov setup update

github.com/westpa/westpa - jeremyleung521 opened this pull request 22 days ago
DOCS: move w_fluxanl out of deprecation

github.com/westpa/westpa - jeremyleung521 opened this pull request 27 days ago
Bump codecov/codecov-action from 4 to 5

github.com/westpa/westpa - dependabot[bot] opened this pull request about 1 month ago
Bump pypa/cibuildwheel from 2.21.3 to 2.22.0

github.com/westpa/westpa - dependabot[bot] opened this pull request about 1 month ago
RNG Modernization

github.com/westpa/westpa - jeremyleung521 opened this pull request about 2 months ago
GH Branches Automated Mirroring

github.com/westpa/westpa - jeremyleung521 opened this pull request about 2 months ago
Update AUTHORS

github.com/westpa/westpa - jeremyleung521 opened this pull request about 2 months ago
Fix w_init when using hdf5 framework with processes work manager

github.com/westpa/westpa - jeremyleung521 opened this pull request about 2 months ago
w_init failing to save trajectory, restart, and log data to the per-iteration HDF5 file at iteration 0.

github.com/westpa/westpa - HScheiber opened this issue about 2 months ago
Bump pypa/cibuildwheel from 2.21.2 to 2.21.3

github.com/westpa/westpa - dependabot[bot] opened this pull request 2 months ago
RTD Fix

github.com/westpa/westpa - jeremyleung521 opened this pull request 2 months ago
make sure output_map is correct for RecursiveBinMapper

github.com/westpa/westpa - jeremyleung521 opened this pull request 2 months ago
Allow WESS and WEED to detect when a simulation has been truncated

github.com/westpa/westpa - gma57 opened this pull request 3 months ago
TRACKING: Python 3.13 Support

github.com/westpa/westpa - jeremyleung521 opened this issue 3 months ago
Enable testing for Python 3.13

github.com/westpa/westpa - jeremyleung521 opened this pull request 3 months ago
Dropping Python 3.8 Testing

github.com/westpa/westpa - jeremyleung521 opened this pull request 3 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 3 months ago
Bump pypa/cibuildwheel from 2.20.0 to 2.21.1

github.com/westpa/westpa - dependabot[bot] opened this pull request 3 months ago
Allow reruns on fluxanl test

github.com/westpa/westpa - jeremyleung521 opened this pull request 4 months ago
Clean up new MAB tests

github.com/westpa/westpa - jeremyleung521 opened this pull request 4 months ago
Drop mambaforge from CI

github.com/westpa/westpa - jeremyleung521 opened this pull request 4 months ago
remove w_fluxanl deprecation warning

github.com/westpa/westpa - jeremyleung521 opened this pull request 4 months ago
Numpy2 support

github.com/westpa/westpa - jeremyleung521 opened this pull request 4 months ago
Bump pypa/cibuildwheel from 2.19.2 to 2.20.0

github.com/westpa/westpa - dependabot[bot] opened this pull request 4 months ago
Voronoi Binning Improvement

github.com/westpa/westpa - jeremyleung521 opened this pull request 4 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 5 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 5 months ago
Bump pypa/cibuildwheel from 2.19.1 to 2.19.2

github.com/westpa/westpa - dependabot[bot] opened this pull request 5 months ago
Fixing the MAB skip function in 2+ dimensions.

github.com/westpa/westpa - HScheiber opened this pull request 6 months ago
Fix MAB 86 Reporting

github.com/westpa/westpa - jeremyleung521 opened this pull request 6 months ago
Matplotlib 3.9 compatibility fix

github.com/westpa/westpa - gma57 opened this pull request 6 months ago
RTD pages Update

github.com/westpa/westpa - jeremyleung521 opened this pull request 6 months ago
Bump pypa/cibuildwheel from 2.18.1 to 2.19.1

github.com/westpa/westpa - dependabot[bot] opened this pull request 6 months ago
Test modernization

github.com/westpa/westpa - jeremyleung521 opened this pull request 6 months ago
fix case when west/executable/datasets is defined as None

github.com/westpa/westpa - jeremyleung521 opened this pull request 6 months ago
w_truncate accepts truncate iterations > current_iteration

github.com/westpa/westpa - jeremyleung521 opened this pull request 6 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 7 months ago
Bump pypa/cibuildwheel from 2.17.0 to 2.18.1

github.com/westpa/westpa - dependabot[bot] opened this pull request 7 months ago
build python 3.12 wheels

github.com/westpa/westpa - jeremyleung521 opened this pull request 7 months ago
remove mdtraj.utils.six dependency in h5io

github.com/westpa/westpa - jeremyleung521 opened this pull request 7 months ago
Update ODLD Test Bin Definition

github.com/westpa/westpa - jeremyleung521 opened this pull request 7 months ago
Small w_states reporting bug

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
README update

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
Allow w_init to save bin_mapper stuff to iteration 1

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
Fix summary tables in westpa.analysis

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
String field issue in `basis_state_summaries` and `target_state_summaries`

github.com/westpa/westpa - jpthompson17 opened this issue 8 months ago
Suppress NaturalNameWarning when using HDF5 Framework

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
WESTPA 3 Feature: W_Pdist Behavioral Change

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
Allow bins to be autodetected with negative max values.

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
Verify max_run_wallclock value

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
Fix Processes Work Manager Shutdown SegFault

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
WESTPA 1.0 Bug Fix: Duplicate Priority/Function Name Callback Crash Fix

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
Duplicate Priority/Function Name Callback Crash Fix

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
Callback error when different registered callbacks have the same priority and name

github.com/westpa/westpa - synapticarbors opened this issue 8 months ago
allow users to specify executable config in west.data.datasets

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
Swapping CI env to install mdtraj with conda

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 8 months ago
Add support for testing and wheel-building on macos-arm64 (Apple Silicon)

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
WESTPA3 feature: ibstates auxdata + ability to call "parent" segment with auxdata

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
Mab lite with direction 86

github.com/westpa/westpa - darianyang opened this pull request 8 months ago
force x86-64 macos GitHub Action Runners

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
Debug Mode Fix for w_ipa

github.com/westpa/westpa - jeremyleung521 opened this pull request 8 months ago
make bin_log user-customizable

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
West.cfg numpy dtype bug fix

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
hotfix for propagator

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 9 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 9 months ago
W_succ ignores -W argument

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
Include short description for package on PyPI page

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
DO NOT MERGE: CI testing

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
Bump pypa/cibuildwheel from 2.16.5 to 2.17.0

github.com/westpa/westpa - dependabot[bot] opened this pull request 9 months ago
Improved GitHub Forms (Issues/PRs)

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
specify errors to be HDF5 Framework related

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
auto update sphinx version

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
w_multi_west ibstates fix

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
Pinning to Numpy < 2

github.com/westpa/westpa - jeremyleung521 opened this pull request 9 months ago
allow tstate files to contain empty line(s) and comments

github.com/westpa/westpa - jeremyleung521 opened this pull request 10 months ago
Fix to make sure recursive bin labels match up with bins index

github.com/westpa/westpa - jeremyleung521 opened this pull request 10 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 10 months ago
Allow custom binning through haMSM restarting plugin

github.com/westpa/westpa - jeremyleung521 opened this pull request 10 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 11 months ago
fix nested-yaml bug

github.com/westpa/westpa - jeremyleung521 opened this pull request 11 months ago
Bump codecov/codecov-action from 3 to 4

github.com/westpa/westpa - dependabot[bot] opened this pull request 11 months ago
Bump pypa/cibuildwheel from 2.16.2 to 2.16.5

github.com/westpa/westpa - dependabot[bot] opened this pull request 11 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 11 months ago
Fixed a bug in YAMLConfig when creating nested new entries

github.com/westpa/westpa - SHZ66 opened this pull request 12 months ago
Dropping `oldest-supported-numpy` for python>=3.9

github.com/westpa/westpa - jeremyleung521 opened this pull request 12 months ago
NumPy2 support fix

github.com/westpa/westpa - alexmgoldberg opened this pull request 12 months ago
Traj reading goes silently rogue for big systems

github.com/westpa/westpa - Poruthoor opened this issue 12 months ago
TRACKING: Numpy 2.0 support

github.com/westpa/westpa - jeremyleung521 opened this issue 12 months ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request 12 months ago
Bump actions/upload-artifact from 3 to 4

github.com/westpa/westpa - dependabot[bot] opened this pull request about 1 year ago
Bump actions/setup-python from 4 to 5

github.com/westpa/westpa - dependabot[bot] opened this pull request about 1 year ago
Bump actions/download-artifact from 3 to 4

github.com/westpa/westpa - dependabot[bot] opened this pull request about 1 year ago
Bump github/codeql-action from 2 to 3

github.com/westpa/westpa - dependabot[bot] opened this pull request about 1 year ago
[pre-commit.ci] pre-commit autoupdate

github.com/westpa/westpa - pre-commit-ci[bot] opened this pull request about 1 year ago
Squashing w_multi_west bugs

github.com/westpa/westpa - jeremyleung521 opened this pull request about 1 year ago
Bump conda-incubator/setup-miniconda from 2 to 3

github.com/westpa/westpa - dependabot[bot] opened this pull request about 1 year ago
Running pytests in parallel

github.com/westpa/westpa - jeremyleung521 opened this pull request about 1 year ago