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Irwiny
/

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 about 2 months ago

.idea
添加PhysDock初始代码 about 2 months ago
PhysDock
添加PhysDock初始代码 about 2 months ago
scripts
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tasks
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.gitattributes
1.52 kB

initial commit about 2 months ago
.gitignore
4.45 kB

添加PhysDock初始代码 about 2 months ago
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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