Ecosyste.ms: OpenCollective
An open API service for software projects hosted on Open Collective.
github.com/westpa/westpa
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
https://github.com/westpa/westpa
pin test env to numpy<2
jeremyleung521 opened this pull request 25 days ago
jeremyleung521 opened this pull request 25 days ago
Codecov setup update
jeremyleung521 opened this pull request 26 days ago
jeremyleung521 opened this pull request 26 days ago
DOCS: move w_fluxanl out of deprecation
jeremyleung521 opened this pull request about 1 month ago
jeremyleung521 opened this pull request about 1 month ago
Bump codecov/codecov-action from 4 to 5
dependabot[bot] opened this pull request about 1 month ago
dependabot[bot] opened this pull request about 1 month ago
Bump pypa/cibuildwheel from 2.21.3 to 2.22.0
dependabot[bot] opened this pull request about 1 month ago
dependabot[bot] opened this pull request about 1 month ago
RNG Modernization
jeremyleung521 opened this pull request about 2 months ago
jeremyleung521 opened this pull request about 2 months ago
GH Branches Automated Mirroring
jeremyleung521 opened this pull request about 2 months ago
jeremyleung521 opened this pull request about 2 months ago
Update AUTHORS
jeremyleung521 opened this pull request 2 months ago
jeremyleung521 opened this pull request 2 months ago
Fix w_init when using hdf5 framework with processes work manager
jeremyleung521 opened this pull request 2 months ago
jeremyleung521 opened this pull request 2 months ago
w_init failing to save trajectory, restart, and log data to the per-iteration HDF5 file at iteration 0.
HScheiber opened this issue 2 months ago
HScheiber opened this issue 2 months ago
Bump pypa/cibuildwheel from 2.21.2 to 2.21.3
dependabot[bot] opened this pull request 2 months ago
dependabot[bot] opened this pull request 2 months ago
RTD Fix
jeremyleung521 opened this pull request 2 months ago
jeremyleung521 opened this pull request 2 months ago
make sure output_map is correct for RecursiveBinMapper
jeremyleung521 opened this pull request 2 months ago
jeremyleung521 opened this pull request 2 months ago
Allow WESS and WEED to detect when a simulation has been truncated
gma57 opened this pull request 3 months ago
gma57 opened this pull request 3 months ago
TRACKING: Python 3.13 Support
jeremyleung521 opened this issue 3 months ago
jeremyleung521 opened this issue 3 months ago
Enable testing for Python 3.13
jeremyleung521 opened this pull request 3 months ago
jeremyleung521 opened this pull request 3 months ago
Dropping Python 3.8 Testing
jeremyleung521 opened this pull request 3 months ago
jeremyleung521 opened this pull request 3 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 3 months ago
pre-commit-ci[bot] opened this pull request 3 months ago
Bump pypa/cibuildwheel from 2.20.0 to 2.21.1
dependabot[bot] opened this pull request 3 months ago
dependabot[bot] opened this pull request 3 months ago
Allow reruns on fluxanl test
jeremyleung521 opened this pull request 4 months ago
jeremyleung521 opened this pull request 4 months ago
Clean up new MAB tests
jeremyleung521 opened this pull request 4 months ago
jeremyleung521 opened this pull request 4 months ago
Drop mambaforge from CI
jeremyleung521 opened this pull request 4 months ago
jeremyleung521 opened this pull request 4 months ago
remove w_fluxanl deprecation warning
jeremyleung521 opened this pull request 4 months ago
jeremyleung521 opened this pull request 4 months ago
Numpy2 support
jeremyleung521 opened this pull request 4 months ago
jeremyleung521 opened this pull request 4 months ago
Bump pypa/cibuildwheel from 2.19.2 to 2.20.0
dependabot[bot] opened this pull request 4 months ago
dependabot[bot] opened this pull request 4 months ago
Voronoi Binning Improvement
jeremyleung521 opened this pull request 4 months ago
jeremyleung521 opened this pull request 4 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 5 months ago
pre-commit-ci[bot] opened this pull request 5 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 5 months ago
pre-commit-ci[bot] opened this pull request 5 months ago
Bump pypa/cibuildwheel from 2.19.1 to 2.19.2
dependabot[bot] opened this pull request 5 months ago
dependabot[bot] opened this pull request 5 months ago
Fixing the MAB skip function in 2+ dimensions.
HScheiber opened this pull request 6 months ago
HScheiber opened this pull request 6 months ago
Fix MAB 86 Reporting
jeremyleung521 opened this pull request 6 months ago
jeremyleung521 opened this pull request 6 months ago
Matplotlib 3.9 compatibility fix
gma57 opened this pull request 6 months ago
gma57 opened this pull request 6 months ago
RTD pages Update
jeremyleung521 opened this pull request 6 months ago
jeremyleung521 opened this pull request 6 months ago
Bump pypa/cibuildwheel from 2.18.1 to 2.19.1
dependabot[bot] opened this pull request 6 months ago
dependabot[bot] opened this pull request 6 months ago
Test modernization
jeremyleung521 opened this pull request 6 months ago
jeremyleung521 opened this pull request 6 months ago
fix case when west/executable/datasets is defined as None
jeremyleung521 opened this pull request 7 months ago
jeremyleung521 opened this pull request 7 months ago
w_truncate accepts truncate iterations > current_iteration
jeremyleung521 opened this pull request 7 months ago
jeremyleung521 opened this pull request 7 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 7 months ago
pre-commit-ci[bot] opened this pull request 7 months ago
Bump pypa/cibuildwheel from 2.17.0 to 2.18.1
dependabot[bot] opened this pull request 7 months ago
dependabot[bot] opened this pull request 7 months ago
build python 3.12 wheels
jeremyleung521 opened this pull request 7 months ago
jeremyleung521 opened this pull request 7 months ago
remove mdtraj.utils.six dependency in h5io
jeremyleung521 opened this pull request 7 months ago
jeremyleung521 opened this pull request 7 months ago
Update ODLD Test Bin Definition
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
Small w_states reporting bug
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
README update
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
Allow w_init to save bin_mapper stuff to iteration 1
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
Fix summary tables in westpa.analysis
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
String field issue in `basis_state_summaries` and `target_state_summaries`
jpthompson17 opened this issue 8 months ago
jpthompson17 opened this issue 8 months ago
Suppress NaturalNameWarning when using HDF5 Framework
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
WESTPA 3 Feature: W_Pdist Behavioral Change
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
Allow bins to be autodetected with negative max values.
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
Verify max_run_wallclock value
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
Fix Processes Work Manager Shutdown SegFault
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
WESTPA 1.0 Bug Fix: Duplicate Priority/Function Name Callback Crash Fix
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
Duplicate Priority/Function Name Callback Crash Fix
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
Callback error when different registered callbacks have the same priority and name
synapticarbors opened this issue 8 months ago
synapticarbors opened this issue 8 months ago
allow users to specify executable config in west.data.datasets
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
Swapping CI env to install mdtraj with conda
jeremyleung521 opened this pull request 8 months ago
jeremyleung521 opened this pull request 8 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 8 months ago
pre-commit-ci[bot] opened this pull request 8 months ago
Add support for testing and wheel-building on macos-arm64 (Apple Silicon)
jeremyleung521 opened this pull request 9 months ago
jeremyleung521 opened this pull request 9 months ago
WESTPA3 feature: ibstates auxdata + ability to call "parent" segment with auxdata
jeremyleung521 opened this pull request 9 months ago
jeremyleung521 opened this pull request 9 months ago
Mab lite with direction 86
darianyang opened this pull request 9 months ago
darianyang opened this pull request 9 months ago
force x86-64 macos GitHub Action Runners
jeremyleung521 opened this pull request 9 months ago
jeremyleung521 opened this pull request 9 months ago
Debug Mode Fix for w_ipa
jeremyleung521 opened this pull request 9 months ago
jeremyleung521 opened this pull request 9 months ago
make bin_log user-customizable
jeremyleung521 opened this pull request 9 months ago
jeremyleung521 opened this pull request 9 months ago
West.cfg numpy dtype bug fix
jeremyleung521 opened this pull request 9 months ago
jeremyleung521 opened this pull request 9 months ago
hotfix for propagator
jeremyleung521 opened this pull request 9 months ago
jeremyleung521 opened this pull request 9 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 9 months ago
pre-commit-ci[bot] opened this pull request 9 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 9 months ago
pre-commit-ci[bot] opened this pull request 9 months ago
W_succ ignores -W argument
jeremyleung521 opened this pull request 9 months ago
jeremyleung521 opened this pull request 9 months ago
Include short description for package on PyPI page
jeremyleung521 opened this pull request 9 months ago
jeremyleung521 opened this pull request 9 months ago
DO NOT MERGE: CI testing
jeremyleung521 opened this pull request 9 months ago
jeremyleung521 opened this pull request 9 months ago
Bump pypa/cibuildwheel from 2.16.5 to 2.17.0
dependabot[bot] opened this pull request 9 months ago
dependabot[bot] opened this pull request 9 months ago
Improved GitHub Forms (Issues/PRs)
jeremyleung521 opened this pull request 10 months ago
jeremyleung521 opened this pull request 10 months ago
specify errors to be HDF5 Framework related
jeremyleung521 opened this pull request 10 months ago
jeremyleung521 opened this pull request 10 months ago
auto update sphinx version
jeremyleung521 opened this pull request 10 months ago
jeremyleung521 opened this pull request 10 months ago
w_multi_west ibstates fix
jeremyleung521 opened this pull request 10 months ago
jeremyleung521 opened this pull request 10 months ago
Pinning to Numpy < 2
jeremyleung521 opened this pull request 10 months ago
jeremyleung521 opened this pull request 10 months ago
allow tstate files to contain empty line(s) and comments
jeremyleung521 opened this pull request 10 months ago
jeremyleung521 opened this pull request 10 months ago
Fix to make sure recursive bin labels match up with bins index
jeremyleung521 opened this pull request 10 months ago
jeremyleung521 opened this pull request 10 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 10 months ago
pre-commit-ci[bot] opened this pull request 10 months ago
Allow custom binning through haMSM restarting plugin
jeremyleung521 opened this pull request 10 months ago
jeremyleung521 opened this pull request 10 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 11 months ago
pre-commit-ci[bot] opened this pull request 11 months ago
fix nested-yaml bug
jeremyleung521 opened this pull request 11 months ago
jeremyleung521 opened this pull request 11 months ago
Bump codecov/codecov-action from 3 to 4
dependabot[bot] opened this pull request 11 months ago
dependabot[bot] opened this pull request 11 months ago
Bump pypa/cibuildwheel from 2.16.2 to 2.16.5
dependabot[bot] opened this pull request 11 months ago
dependabot[bot] opened this pull request 11 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 11 months ago
pre-commit-ci[bot] opened this pull request 11 months ago
Fixed a bug in YAMLConfig when creating nested new entries
SHZ66 opened this pull request 12 months ago
SHZ66 opened this pull request 12 months ago
Dropping `oldest-supported-numpy` for python>=3.9
jeremyleung521 opened this pull request 12 months ago
jeremyleung521 opened this pull request 12 months ago
NumPy2 support fix
alexmgoldberg opened this pull request 12 months ago
alexmgoldberg opened this pull request 12 months ago
Traj reading goes silently rogue for big systems
Poruthoor opened this issue 12 months ago
Poruthoor opened this issue 12 months ago
TRACKING: Numpy 2.0 support
jeremyleung521 opened this issue 12 months ago
jeremyleung521 opened this issue 12 months ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request 12 months ago
pre-commit-ci[bot] opened this pull request 12 months ago
Bump actions/upload-artifact from 3 to 4
dependabot[bot] opened this pull request about 1 year ago
dependabot[bot] opened this pull request about 1 year ago
Bump actions/setup-python from 4 to 5
dependabot[bot] opened this pull request about 1 year ago
dependabot[bot] opened this pull request about 1 year ago
Bump actions/download-artifact from 3 to 4
dependabot[bot] opened this pull request about 1 year ago
dependabot[bot] opened this pull request about 1 year ago
Bump github/codeql-action from 2 to 3
dependabot[bot] opened this pull request about 1 year ago
dependabot[bot] opened this pull request about 1 year ago
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] opened this pull request about 1 year ago
pre-commit-ci[bot] opened this pull request about 1 year ago
Squashing w_multi_west bugs
jeremyleung521 opened this pull request about 1 year ago
jeremyleung521 opened this pull request about 1 year ago
Bump conda-incubator/setup-miniconda from 2 to 3
dependabot[bot] opened this pull request about 1 year ago
dependabot[bot] opened this pull request about 1 year ago
Running pytests in parallel
jeremyleung521 opened this pull request about 1 year ago
jeremyleung521 opened this pull request about 1 year ago