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25 workflow runs

25 workflow runs

Fix bug breaking ala and gly rotamer ensembels when eval_clash = True Test on PR activity #258: Pull request #207 opened by mtessmer

3m 50s mutat_ala_gly

3m 50s

Fix rotamer shuffle when repairing PDB structures pre-repack. Test on PR activity #257: Pull request #206 opened by mtessmer

4m 46s fix/mutate-fill-missing-atoms

fix/mutate-fill-missing-atoms

4m 46s

Fix bugs in cif and sdf readers/writers Test on PR activity #256: Pull request #205 opened by mtessmer

4m 53s cif_edge_cases

4m 53s

Fix bug sometimes skipping peptide bond when using bio ccd to infer bonds. Test on PR activity #255: Pull request #203 synchronize by mtessmer

5m 20s ccd_peptide_bond

ccd_peptide_bond

5m 20s

Fix bug sometimes skipping peptide bond when using bio ccd to infer bonds. Test on PR activity #254: Pull request #203 synchronize by mtessmer

1m 51s ccd_peptide_bond

ccd_peptide_bond

1m 51s

Fix bug sometimes skipping peptide bond when using bio ccd to infer bonds. Test on PR activity #253: Pull request #203 opened by mtessmer

4m 45s ccd_peptide_bond

ccd_peptide_bond

4m 45s

Fix bug skipping ccd bonds when constructing molsys Test on PR activity #252: Pull request #202 opened by mtessmer

4m 57s add_ccd_bonds

4m 57s

Merge branch 'main' into docs Docs Build & Deployment #35: Commit f6ed312 pushed by mtessmer

1m 42s docs

1m 42s

Fix bug breaking docs build Test on PR activity #251: Pull request #201 opened by mtessmer

4m 6s

Merge branch 'main' into docs Docs Build & Deployment #34: Commit 1865b29 pushed by mtessmer

1m 28s docs

1m 28s

Fix Example 14 link in README.md Test on PR activity #250: Pull request #200 opened by mtessmer

4m 29s fix_example_14_link

fix_example_14_link

4m 29s

Update pages action Docs Build & Deployment #33: Commit 686a1fc pushed by mtessmer

1m 49s docs

1m 49s

pages build and deployment pages-build-deployment #13: by github-pagesBot

21s

Merge branch 'main' into docs Docs Build & Deployment #32: Commit 5fd7b1d pushed by mtessmer

22s docs

22s

chiLife 1.2 Test on PR activity #249: Pull request #199 synchronize by mtessmer

4m 52s chilife_1.2

4m 52s

chiLife 1.2 Test on PR activity #248: Pull request #199 synchronize by mtessmer

4m 11s chilife_1.2

4m 11s

chiLife 1.2 Test on PR activity #247: Pull request #199 synchronize by mtessmer

4m 16s chilife_1.2

4m 16s

chiLife 1.2 Test on PR activity #246: Pull request #199 synchronize by mtessmer

4m 34s chilife_1.2

4m 34s

chiLife 1.2 Test on PR activity #245: Pull request #199 synchronize by mtessmer

5m 35s chilife_1.2

5m 35s

chiLife 1.2 Test on PR activity #244: Pull request #199 synchronize by mtessmer

4m 39s chilife_1.2

4m 39s

chiLife 1.2 Test on PR activity #243: Pull request #199 synchronize by mtessmer

4m 17s chilife_1.2

4m 17s

chiLife 1.2 Test on PR activity #242: Pull request #199 synchronize by mtessmer

4m 33s chilife_1.2

4m 33s

chiLife 1.2 Test on PR activity #241: Pull request #199 synchronize by mtessmer

4m 26s chilife_1.2

4m 26s

chiLife 1.2 Test on PR activity #240: Pull request #199 opened by mtessmer

4m 14s chilife_1.2

4m 14s

Add point keyword to MolSys object for selection atoms neara point in space Test on PR activity #239: Pull request #198 opened by mtessmer

5m 55s molsys_point

5m 55s