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Irwiny
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PhysDock

Model card Files Files and versions

919 kB

2 contributors

History: 2 commits

Irwiny123's picture

添加PhysDock初始代码

7a1bbaf 4 months ago

.idea
添加PhysDock初始代码 4 months ago
PhysDock
添加PhysDock初始代码 4 months ago
scripts
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tasks
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.gitattributes

1.52 kB

initial commit 4 months ago
.gitignore

4.45 kB

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License

1.08 kB

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README.md

7.23 kB

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docking_demo.sh

1.33 kB

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enviroment.yaml

692 Bytes

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prepare_system.py

837 Bytes

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redocking.py

25.5 kB

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redocking_demo.sh

335 Bytes

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run_homo_search.py

1.72 kB

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screening.py

26.1 kB

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screening_demo.sh

336 Bytes

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screening_tmp.sh

426 Bytes

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setup.py

511 Bytes

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