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Pull requests: dptech-corp/Uni-Dock

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chore: update project version to 1.1.3
#147 by caic99 was merged Jan 25, 2025 Loading…
fix: update boost::filesystem include header
#146 by caic99 was merged Jan 25, 2025 Loading…
fix: typo in Dockerfile
#145 by k-ujihara was merged Jan 25, 2025 Loading…
Optimize CUDA codes in precalculate.cu
#137 by kongexp was merged Aug 6, 2024 Loading…
Bump docker/build-push-action from 5 to 6 dependencies Pull requests that update a dependency file
#135 by dependabot bot was merged Jul 1, 2024 Loading…
Enhance run info
#134 by lucifer1004 was merged Jun 4, 2024 Loading…
fix: add kernel type info
#132 by ysyecust was merged May 20, 2024 Loading…
feat:support bias
#131 by dp-yuanyn was merged May 15, 2024 Loading…
build: change docker build runner from github to self
#128 by dp-yuanyn was merged Apr 28, 2024 Loading…
fix: unidock pipeline ligand index list too long err
#127 by dp-yuanyn was merged Apr 26, 2024 Loading…
feat: update ligand group method
#125 by ysyecust was merged Apr 28, 2024 Loading…
test: readd ad4 tests
#122 by dp-yuanyn was merged Apr 12, 2024 Loading…
fix: env readd mgltools and remove tests using ad4 temporary
#121 by dp-yuanyn was merged Apr 12, 2024 Loading…
Fix uninitialized f0 and re-enable sm75/sm86/sm89
#120 by lucifer1004 was merged Jan 25, 2025 Loading…
[feature] unidock tools add required dependencies
#119 by Hong-Rui was merged Apr 9, 2024 Loading…
new version for pdb2pdbqt
#117 by zhangplpl was merged Aug 6, 2024 Loading…
fix:unidock pipeline one ligand failed case
#116 by dp-yuanyn was merged Apr 7, 2024 Loading…
Feature/analyse pose
#113 by ysyecust was closed Apr 28, 2024 Loading…
build: add unidock_tools dependency in toml
#110 by dp-yuanyn was merged Mar 20, 2024 Loading…
Fix path error in README.md
#108 by ysyecust was merged Mar 20, 2024 Loading…
Docs: add introduction to uni-dock benchmarks
#105 by caic99 was merged Mar 19, 2024 Loading…
Docs: fix typo in conda-forge instructions
#104 by caic99 was merged Mar 19, 2024 Loading…
Docs: add conda-forge install instructions
#103 by caic99 was merged Mar 19, 2024 Loading…
Update version number in CMakeLists.txt
#101 by ysyecust was merged Mar 11, 2024 Loading…
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