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ShEPhERD-score v1.2.2 Publish to PyPI #9: Release v1.2.2 published by kentoabeywardane
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Merge pull request #16 from coleygroup/dev CI #30: Commit 42cef18 pushed by kentoabeywardane
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Fix workflows for github versioning CI #29: Pull request #16 opened by kentoabeywardane
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Fix workflows for github versioning CI #28: Commit 23b3aa3 pushed by kentoabeywardane
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Publish to PyPI Publish to PyPI #8: published by kentoabeywardane
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Merge pull request #15 from coleygroup/dev CI #27: Commit 355e50a pushed by kentoabeywardane
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Bug fix to pharm extended point scoring for halogens; dynamic versioning; vectorized pharm scoring CI #26: Pull request #15 synchronize by kentoabeywardane
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Add tests for vectorized pharm scoring/alignment CI #25: Commit 95684a4 pushed by kentoabeywardane
2m 20s dev
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Bug fix to pharm extended point scoring for halogens; dynamic versioning; vectorized pharm scoring CI #24: Pull request #15 opened by kentoabeywardane
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Add dynamic versioning CI #23: Commit dec66c9 pushed by kentoabeywardane
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Bump v1.2.2 for pharmacophore construction CI #22: Commit 0dfd136 pushed by kentoabeywardane
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Merge pull request #14 from VidaVinci/pharm_speed CI #21: Commit 83490ca pushed by kentoabeywardane
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Speed up pharmacophore creation process CI #19: Pull request #14 opened by priley-vv
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Publish to PyPI Publish to PyPI #7: Manually run by kentoabeywardane
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Publish to PyPI Publish to PyPI #6: Manually run by kentoabeywardane
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Merge pull request #13 from coleygroup/dev CI #18: Commit dc82406 pushed by kentoabeywardane
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Significant speed improvements to vol/surf/ESP alignment functions with jax. CI #17: Pull request #13 opened by kentoabeywardane
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pyproject.toml CI #16: Commit eb3c29e pushed by kentoabeywardane
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Significant speedups for vol/surf/esp alignment for jax via lax.scan;… CI #15: Commit f4b7082 pushed by kentoabeywardane
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Add Molecule to Chimera function CI #14: Commit efaedb4 pushed by kentoabeywardane
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Update README.md CI #13: Commit a8b1ad2 pushed by kentoabeywardane
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Fix link to docs CI #12: Commit 289e50a pushed by kentoabeywardane
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Publish to PyPI Publish to PyPI #5: Manually run by kentoabeywardane
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Publish to PyPI Publish to PyPI #4: Manually run by kentoabeywardane
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Publish to PyPI Publish to PyPI #3: Manually run by kentoabeywardane
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