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guardrail print statements
Pytest #131: Pull request #230 opened by gianmarco-terrones
May 6, 2024 15:28 11m 56s metal_autocorrelation
May 6, 2024 15:28 11m 56s
CodeQL
CodeQL #468: Scheduled
May 4, 2024 11:59 3m 50s master
May 4, 2024 11:59 3m 50s
Permutation invariant ML models
Linter #807: Pull request #229 synchronize by ralf-meyer
May 3, 2024 17:48 40s permutational_kernel
May 3, 2024 17:48 40s
Permutation invariant ML models
CodeQL #467: Pull request #229 synchronize by ralf-meyer
May 3, 2024 17:48 3m 53s permutational_kernel
May 3, 2024 17:48 3m 53s
Permutation invariant ML models
Pytest #130: Pull request #229 synchronize by ralf-meyer
May 3, 2024 17:48 4m 55s permutational_kernel
May 3, 2024 17:48 4m 55s
Classifying geometry based on RMSD
CodeQL #466: Pull request #213 synchronize by ralf-meyer
April 30, 2024 17:41 3m 48s geometry_changes
April 30, 2024 17:41 3m 48s
Classifying geometry based on RMSD
Pytest #129: Pull request #213 synchronize by ralf-meyer
April 30, 2024 17:41 12m 10s geometry_changes
April 30, 2024 17:41 12m 10s
Classifying geometry based on RMSD
Linter #806: Pull request #213 synchronize by ralf-meyer
April 30, 2024 17:41 34s geometry_changes
April 30, 2024 17:41 34s
CodeQL
CodeQL #465: Scheduled
April 27, 2024 11:59 3m 52s master
April 27, 2024 11:59 3m 52s
Classifying geometry based on RMSD
CodeQL #464: Pull request #213 synchronize by aarongarrison
April 26, 2024 13:45 3m 13s geometry_changes
April 26, 2024 13:45 3m 13s
Classifying geometry based on RMSD
Pytest #128: Pull request #213 synchronize by aarongarrison
April 26, 2024 13:45 12m 1s geometry_changes
April 26, 2024 13:45 12m 1s
Classifying geometry based on RMSD
Linter #805: Pull request #213 synchronize by aarongarrison
April 26, 2024 13:45 40s geometry_changes
April 26, 2024 13:45 40s
Merge pull request #228 from hjkgrp/remove_dead_code
CodeQL #463: Commit e7e5a50 pushed by ralf-meyer
April 24, 2024 19:22 3m 23s master
April 24, 2024 19:22 3m 23s
Merge pull request #228 from hjkgrp/remove_dead_code
Linter #804: Commit e7e5a50 pushed by ralf-meyer
April 24, 2024 19:22 41s master
April 24, 2024 19:22 41s
Merge pull request #228 from hjkgrp/remove_dead_code
Pytest #127: Commit e7e5a50 pushed by ralf-meyer
April 24, 2024 19:22 11m 39s master
April 24, 2024 19:22 11m 39s
Remove everything related to iodata
CodeQL #462: Pull request #228 synchronize by ralf-meyer
April 24, 2024 18:58 3m 32s remove_dead_code
April 24, 2024 18:58 3m 32s
Remove everything related to iodata
Pytest #126: Pull request #228 synchronize by ralf-meyer
April 24, 2024 18:58 12m 19s remove_dead_code
April 24, 2024 18:58 12m 19s
Remove everything related to iodata
Linter #803: Pull request #228 synchronize by ralf-meyer
April 24, 2024 18:58 34s remove_dead_code
April 24, 2024 18:58 34s
Merge pull request #218 from hjkgrp/delete_molscontrol
CodeQL #461: Commit ff43aee pushed by ralf-meyer
April 24, 2024 18:54 3m 14s master
April 24, 2024 18:54 3m 14s
Merge pull request #218 from hjkgrp/delete_molscontrol
Pytest #125: Commit ff43aee pushed by ralf-meyer
April 24, 2024 18:54 12m 3s master
April 24, 2024 18:54 12m 3s
Merge pull request #218 from hjkgrp/delete_molscontrol
Linter #802: Commit ff43aee pushed by ralf-meyer
April 24, 2024 18:54 34s master
April 24, 2024 18:54 34s
Remove everything related to iodata
Pytest #124: Pull request #228 opened by ralf-meyer
April 24, 2024 18:38 11m 33s remove_dead_code
April 24, 2024 18:38 11m 33s
Remove everything related to iodata
CodeQL #460: Pull request #228 opened by ralf-meyer
April 24, 2024 18:38 3m 16s remove_dead_code
April 24, 2024 18:38 3m 16s
Remove everything related to iodata
Linter #801: Pull request #228 opened by ralf-meyer
April 24, 2024 18:38 41s remove_dead_code
April 24, 2024 18:38 41s
update version number
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #3: Commit 91cc41c pushed by gianmarco-terrones
April 24, 2024 18:14 1m 32s v1.7.4
April 24, 2024 18:14 1m 32s