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Add optional emle_plus support to OpenFFCreationStrategy (#23) CI/CD #117: Commit 3dac678 pushed by JMorado
5m 41s main
main
5m 41s
Add optional emle_plus support to OpenFFCreationStrategy CI/CD #116: Pull request #23 opened by JMorado
6m 6s emle-plus-option
emle-plus-option
6m 6s
Add optional emle_plus support to OpenFFCreationStrategy CI/CD #115: Pull request #22 synchronize by JMorado
25s optional-emle-plus
optional-emle-plus
25s
Add optional emle_plus support to OpenFFCreationStrategy CI/CD #114: Pull request #22 opened by JMorado
19s optional-emle-plus
optional-emle-plus
19s
Fix conda environment issues. CI/CD #113: Pull request #19 synchronize by JMorado
1m 5s issue-17-conda-env
issue-17-conda-env
1m 5s
Update fes-ml usage examples CI/CD #112: Pull request #21 opened by JMorado
26s issue-18-update-usage-examples
issue-18-update-usage-examples
26s
Update fes-ml usage examples CI/CD #111: Pull request #20 opened by JMorado
2m 14s issue-18-examples
issue-18-examples
2m 14s
Fix conda environment issues. CI/CD #110: Pull request #19 opened by JMorado
2m 20s issue-17-conda-env
issue-17-conda-env
2m 20s
Fix kwargs handling in MLPotential CI/CD #109: Commit 9f39f47 pushed by JMorado
3m 5s main
main
3m 5s
Isort formatting. CI/CD #108: Commit f56b248 pushed by JMorado
1m 4s main
main
1m 4s
Update packmol_kwargs to not be overriden by default values CI/CD #107: Commit 6ede55f pushed by JMorado
1m 21s main
main
1m 21s
Add support for PythonForce in MLBaseModification's force selection CI/CD #106: Commit 50e12c1 pushed by JMorado
1m 14s main
main
1m 14s
Add options for switching function and long-range correction in LJSof… CI/CD #105: Commit 52a9341 pushed by JMorado
3m 4s main
main
3m 4s
Automatically zero our LJ parameters for the QM region if dispersion_… CI/CD #104: Commit e380dea pushed by JMorado
3m 1s main
main
3m 1s
Merge branch 'main' of github.com:michellab/fes-ml CI/CD #103: Commit 77a38bf pushed by JMorado
2m 44s main
main
2m 44s
Update ci_env.yaml CI/CD #102: Commit 7769a96 pushed by JMorado
2m 46s main
main
2m 46s
Update CI to use dedicated conda env CI/CD #101: Commit dbfc683 pushed by JMorado
1m 29s main
main
1m 29s
Maintenance updates and improve LJ parameter interpolation (#16) CI/CD #100: Commit 002586c pushed by JMorado
1m 44s main
main
1m 44s
Maintenance updates and improve LJ parameter interpolation CI/CD #99: Pull request #16 synchronize by JMorado
1m 56s feature_alchemical_groups
feature_alchemical_groups
1m 56s
v0.2.2 CI/CD #98: Release v0.2.2 published by JMorado
1m 36s
1m 36s
Add alchemical groups (#15) CI/CD #97: Commit 9bcf200 pushed by JMorado
1m 26s main
main
1m 26s
Add alchemical groups CI/CD #96: Pull request #15 synchronize by JMorado
1m 51s feature_alchemical_groups
feature_alchemical_groups
1m 51s
Add alchemical groups CI/CD #95: Pull request #15 synchronize by JMorado
1m 7s feature_alchemical_groups
feature_alchemical_groups
1m 7s
Add alchemical groups CI/CD #94: Pull request #15 synchronize by JMorado
1m 9s feature_alchemical_groups
feature_alchemical_groups
1m 9s
Add alchemical groups CI/CD #93: Pull request #15 synchronize by JMorado
1m 10s feature_alchemical_groups
feature_alchemical_groups
1m 10s