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shirtsgroup
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physical_validation
Physical validation of molecular simulations
https://physical-validation.readthedocs.io
MIT License
55
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Bump codecov/codecov-action from 3 to 5
#249
dependabot[bot]
opened
2 weeks ago
0
[pre-commit.ci] pre-commit autoupdate
#248
pre-commit-ci[bot]
opened
1 month ago
0
Bump mamba-org/setup-micromamba from 1 to 2
#247
dependabot[bot]
opened
1 month ago
0
Inconsistent standard deviation calculations
#246
Efrem-Braun
closed
2 months ago
4
Bump conda-incubator/setup-miniconda from 2.2.0 to 3.0.4
#245
dependabot[bot]
closed
4 months ago
3
[pre-commit.ci] pre-commit autoupdate
#244
pre-commit-ci[bot]
closed
4 months ago
2
Bump conda-incubator/setup-miniconda from 2.2.0 to 3.0.3
#243
dependabot[bot]
closed
7 months ago
2
Bump conda-incubator/setup-miniconda from 2.2.0 to 3.0.2
#242
dependabot[bot]
closed
9 months ago
2
[pre-commit.ci] pre-commit autoupdate
#241
pre-commit-ci[bot]
closed
11 months ago
1
Bump github/codeql-action from 2 to 3
#240
dependabot[bot]
closed
11 months ago
2
Bump actions/setup-python from 4 to 5
#239
dependabot[bot]
closed
4 months ago
5
Bump conda-incubator/setup-miniconda from 2.2.0 to 3.0.1
#238
dependabot[bot]
closed
9 months ago
2
Bump conda-incubator/setup-miniconda from 2.2.0 to 3.0.0
#237
dependabot[bot]
closed
1 year ago
2
Bump conda-incubator/setup-miniconda from 2.2.0 to 2.3.0
#236
dependabot[bot]
closed
1 year ago
1
Update CI
#235
mattwthompson
closed
4 months ago
2
Use GHA-compatible GROMACS builds in CI
#234
mattwthompson
opened
1 year ago
1
GROMACS build issues causing CI failures
#233
mattwthompson
opened
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#232
pre-commit-ci[bot]
closed
1 year ago
1
Bump codecov/codecov-action from 3 to 4
#231
dependabot[bot]
closed
1 year ago
2
Bump actions/checkout from 3 to 4
#230
dependabot[bot]
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#229
pre-commit-ci[bot]
closed
1 year ago
1
Clean up references to master branch
#228
ptmerz
closed
1 year ago
2
Remove references to LGTM
#227
ptmerz
closed
1 year ago
1
Remove references to LGTM
#226
ptmerz
closed
1 year ago
0
Rename default branch
#225
ptmerz
closed
1 year ago
6
[pre-commit.ci] pre-commit autoupdate
#224
pre-commit-ci[bot]
closed
1 year ago
1
Add CodeQL workflow for GitHub code scanning
#223
lgtm-com[bot]
closed
1 year ago
0
Bump conda-incubator/setup-miniconda from 2.1.1 to 2.2.0
#222
dependabot[bot]
closed
2 years ago
1
Bump version to 1.0.5
#221
ptmerz
closed
2 years ago
0
Make physical_validation compatible to pymbar versions 3 and 4
#220
ptmerz
closed
2 years ago
1
Update supported Python versions
#219
ptmerz
closed
2 years ago
1
[pre-commit.ci] pre-commit autoupdate
#218
pre-commit-ci[bot]
closed
2 years ago
1
pre-commit autoupdate an pin `pymbar <4`
#217
pre-commit-ci[bot]
closed
2 years ago
1
Compatibility with pymbar 4
#216
ptmerz
closed
2 years ago
7
[pre-commit.ci] pre-commit autoupdate
#215
pre-commit-ci[bot]
closed
2 years ago
1
Bump actions/setup-python from 3 to 4
#214
dependabot[bot]
closed
2 years ago
2
Bump codecov/codecov-action from 2.1.0 to 3
#213
dependabot[bot]
closed
2 years ago
6
[pre-commit.ci] pre-commit autoupdate
#212
pre-commit-ci[bot]
closed
2 years ago
1
Bump actions/checkout from 2.4.0 to 3
#211
dependabot[bot]
closed
2 years ago
1
Bump actions/setup-python from 2.3.2 to 3
#210
dependabot[bot]
closed
2 years ago
1
Add pre-commit
#209
mattwthompson
closed
2 years ago
5
Bump actions/setup-python from 2.3.1 to 2.3.2
#208
dependabot[bot]
closed
2 years ago
1
Fix JOSS citations
#207
ptmerz
closed
2 years ago
0
Fix DOI in JOSS paper reference
#206
ptmerz
closed
2 years ago
0
Fix DOI metadata & bump version
#205
ptmerz
closed
2 years ago
0
Bump version after JOSS review
#204
ptmerz
closed
2 years ago
0
Joss paper
#203
ptmerz
closed
2 years ago
0
Add info on LJ parameters used, and set cutoff distance in relation
#202
ptmerz
closed
2 years ago
0
Address JOSS reviewer comments
#201
ptmerz
closed
2 years ago
1
Bump version number to reflect documentation update
#200
ptmerz
closed
2 years ago
0
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