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ShEPhERD-score v1.4 Publish to PyPI #14: Release v1.4.0 published by kentoabeywardane
50s
50s
Merge pull request #26 from coleygroup/fix/sascorer-import CI #67: Commit 20ebed7 pushed by kentoabeywardane
2m 22s main
main
2m 22s
Fix sascorer import for conda vs pip CI #66: Pull request #26 opened by kentoabeywardane
2m 34s fix/sascorer-import
fix/sascorer-import
2m 34s
Merge pull request #25 from VidaVinci/shepherd_score2 CI #65: Commit a40ad1c pushed by kentoabeywardane
3m 6s main
main
3m 6s
Add _select_best_result for performance improvement CI #64: Pull request #25 opened by priley-vv
2m 29s VidaVinci:shepherd_score2
VidaVinci:shepherd_score2
2m 29s
Merge pull request #24 from coleygroup/subselection CI #63: Commit 86a0ca1 pushed by kentoabeywardane
2m 28s main
main
2m 28s
[feat] interaction subselection support CI #62: Pull request #24 opened by kenjiwalker21
2m 31s subselection
subselection
2m 31s
ShEPhERD-score v1.3.3 Publish to PyPI #13: Release v1.3.3 published by kentoabeywardane
41s
41s
Merge pull request #23 from coleygroup/pipeline CI #61: Commit 446f358 pushed by kentoabeywardane
2m 30s main
main
2m 30s
Pipeline CI #60: Pull request #23 synchronize by kentoabeywardane
2m 28s pipeline
pipeline
2m 28s
Pipeline CI #59: Pull request #23 synchronize by kentoabeywardane
2m 30s pipeline
pipeline
2m 30s
Pipeline CI #58: Pull request #23 synchronize by kentoabeywardane
2m 30s pipeline
pipeline
2m 30s
Pipeline CI #57: Pull request #23 opened by kentoabeywardane
2m 32s pipeline
pipeline
2m 32s
Merge pull request #22 from coleygroup/docs CI #56: Commit 75f1b6b pushed by kentoabeywardane
2m 44s main
main
2m 44s
Minor updates to docs and readme. Minor updates to chimeraX export functions. CI #55: Pull request #22 synchronize by kentoabeywardane
2m 42s docs
docs
2m 42s
Minor updates to docs and readme. Minor updates to chimeraX export functions. CI #54: Pull request #22 synchronize by kentoabeywardane
2m 37s docs
docs
2m 37s
Minor updates to docs and readme. Minor updates to chimeraX export functions. CI #53: Pull request #22 synchronize by kentoabeywardane
2m 27s docs
docs
2m 27s
Minor updates to docs and readme. Minor updates to chimeraX export functions. CI #52: Pull request #22 opened by kentoabeywardane
2m 48s docs
docs
2m 48s
ShEPhERD-score v1.3.2 Publish to PyPI #12: Release v1.3.2 published by kentoabeywardane
1m 3s
1m 3s
Merge pull request #21 from coleygroup/jax-multiproc CI #51: Commit 3f0db95 pushed by kentoabeywardane
2m 42s main
main
2m 42s
Add Jax-based MoleculePairBatch to speed up timings of larger datasets CI #50: Pull request #21 synchronize by kentoabeywardane
2m 51s jax-multiproc
jax-multiproc
2m 51s
Add Jax-based MoleculePairBatch to speed up timings of larger datasets CI #49: Pull request #21 opened by kentoabeywardane
3m 8s jax-multiproc
jax-multiproc
3m 8s
ShEPhERD-score v1.3.1 Publish to PyPI #11: Release v1.3.1 published by kentoabeywardane
45s
45s
Merge pull request #20 from coleygroup/analytical-grad CI #48: Commit faa34a0 pushed by kentoabeywardane
2m 37s main
main
2m 37s
Implements general speed improvements alignment speed. Introduces analytical gradients for PyTorch scoring. CI #47: Pull request #20 synchronize by kentoabeywardane
2m 30s analytical-grad
analytical-grad
2m 30s