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feat: save energies of pruned conformers to the resulting xyz file, order the geometries in ascending order Test #71: Pull request #20 synchronize by ntampellini
30d 0h 4m 19s osohtoh:feat/write_energies
osohtoh:feat/write_energies
30d 0h 4m 19s
feat: save energies of pruned conformers to the resulting xyz file, order the geometries in ascending order Test #70: Pull request #20 opened by osohtoh
10s osohtoh:feat/write_energies
osohtoh:feat/write_energies
10s
timeout compatibility on windows Test #69: Commit cc21b05 pushed by ntampellini
15s master
master
15s
CLI entrypoint Test #68: Commit 628f99a pushed by ntampellini
11s master
master
11s
adds timeout Test #67: Commit 101c6eb pushed by ntampellini
11s master
master
11s
Merge pull request #18 from ntampellini/17-tiny-molecules-cause-issues Test #66: Commit e46f843 pushed by ntampellini
15s master
master
15s
17 tiny molecules cause issues Test #65: Pull request #18 opened by ntampellini
19s 17-tiny-molecules-cause-issues
17-tiny-molecules-cause-issues
19s
Merge pull request #16 from corinwagen:feature/batch-rmsd Test #64: Commit a33d7c9 pushed by ntampellini
45s master
master
45s
Batch RMSD Calculations Test #62: Pull request #16 synchronize by corinwagen
39s corinwagen:feature/batch-rmsd
corinwagen:feature/batch-rmsd
39s
Batch RMSD Calculations Test #61: Pull request #16 opened by corinwagen
35s corinwagen:feature/batch-rmsd
corinwagen:feature/batch-rmsd
35s
README.md badge Test #60: Commit 3ea3b4d pushed by ntampellini
11s master
master
11s
support empty lines in .xyz files Test #59: Commit c234516 pushed by ntampellini
11s master
master
11s
added index table Test #58: Commit a712ebd pushed by ntampellini
42s master
master
42s
logo in README Test #57: Commit fed9d0b pushed by ntampellini
31s master
master
31s
support bent alkynes Test #56: Commit 1cdc95c pushed by ntampellini
39s master
master
39s
fixes #14: rotable bonds on alkynes Test #55: Commit 6c1ade7 pushed by ntampellini
46s master
master
46s
Merge pull request #13 from jevandezande/typos Test #54: Commit a3eb7dc pushed by ntampellini
28s master
master
28s
Fixes typos Test #53: Pull request #13 opened by jevandezande
32s jevandezande:typos
jevandezande:typos
32s
enforced type checking on PrunerConfig classes Test #52: Commit 44625f1 pushed by ntampellini
39s master
master
39s
Merge branch 'master' of https://github.com/ntampellini/prism_pruner Test #51: Commit fb9fd8c pushed by ntampellini
13s master
master
13s
Energy sorted-pruning Publish to PyPI #3: Release v0.0.3 published by ntampellini
23s
23s
Merge pull request #11 from ntampellini/performance/rmsd Test #50: Commit 762e28c pushed by ntampellini
34s master
master
34s
[Performance] Pruning energy-sorted ensembles Test #49: Pull request #11 synchronize by ntampellini
27s performance/rmsd
performance/rmsd
27s
[Performance] Pruning energy-sorted ensembles Test #48: Pull request #11 synchronize by ntampellini
40s performance/rmsd
performance/rmsd
40s
[Performance] Pruning energy-sorted ensembles Test #47: Pull request #11 opened by ntampellini
29s performance/rmsd
performance/rmsd
29s