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update: update file paths to include 'notebooks' directory for intera… documentation #614: Commit 0f3de40 pushed by amorehead
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update: add loguru for cleaner logging and tables for data file parsing documentation #613: Commit c726de6 pushed by amorehead
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update: add bioconda reduce package installation in Dockerfile documentation #612: Commit 4002b04 pushed by amorehead
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update: add biotraj dependency to posebench environment documentation #611: Commit 4dbdf43 pushed by amorehead
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update: remove biotraj dependency from posebench environment documentation #610: Commit e37e09e pushed by amorehead
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update: speed up Dockerfile build by removing openff documentation #609: Commit 3585cc9 pushed by amorehead
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update: add openff-toolkit and openbabel to Conda dependencies in Doc… documentation #608: Commit 547bf2a pushed by amorehead
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update: fix file path for PoseBusters benchmark deposition dates CSV … documentation #607: Commit 823be78 pushed by amorehead
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update: remove relative path references in data directory configurati… documentation #606: Commit 515394d pushed by amorehead
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update: add interaction scripts to .gitignore documentation #605: Commit 7680781 pushed by amorehead
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update: correct output script directory in interaction analysis scrip… documentation #604: Commit 8397226 pushed by amorehead
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update: remove 'casp15' from datasets to sweep in interaction analysi… documentation #603: Commit ab5e852 pushed by amorehead
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update: add SLURM-based method interaction analysis scripts documentation #602: Commit 563d2e4 pushed by amorehead
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update: refactor code structure for improved readability and maintain… documentation #601: Commit 30d79d9 pushed by amorehead
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fix: Update pdbeccdutils to version 1.0.3 and scipy to version 1.14.1… documentation #600: Commit 6a2be10 pushed by amorehead
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fix: Update pdbeccdutils version to 1.0.0 in posebench_environment.yaml documentation #599: Commit a5ae2b6 pushed by amorehead
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fix: Update lightning and related packages to latest versions in pose… documentation #598: Commit 2e08070 pushed by amorehead
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fix: Update scipy version to 1.13.0 in posebench_environment.yaml documentation #597: Commit b41ed53 pushed by amorehead
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fix: Remove unnecessary package 'libconeangle' from Conda dependencie… documentation #596: Commit a6bd448 pushed by amorehead
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feat: Add Dockerfile for setting up PoseBench environment with depend… documentation #595: Commit 12ed4b5 pushed by amorehead
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fix: Avoid potential side effects by breaking references to original … documentation #594: Commit bddd10c pushed by amorehead
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Fix fragment similarity function call documentation #593: Pull request #21 opened by 950288
Action required 950288:main
950288:main
Action required
Bump biopython from 1.79 to 1.86 documentation #592: Pull request #19 opened by dependabot bot
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Bump biopython from 1.79 to 1.86 documentation #591: Commit 65e35ac pushed by dependabot bot
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Update citation.bib documentation #590: Commit b3a15ef pushed by amorehead
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