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High-throughput system for material calculation

Prerequisites

Build & Run

mkdir -p build && cd build
cmake ..
make

./producer <reids server hostname> <reids server port> <mongodb server url>
./consumer <schedule hostname:schedule port> <redis queue key>

Result

  • prerequisites
    • pip install redis
  • example
    import zlib
    s = b'''x\x00x'''
    print(s.hex())
    cs = zlib.compress(s)
    zlib.decompress(cs)
    
    import redis
    r = redis.Redis(host='localhost', port=6379, db=0)
    c = r.lrange('zinc_datazinc_ligand_1w_sort', 0, 0)[0]
    zlib.decompress(c)
    r.zadd('_zinc_datazinc_ligand_1w_sort', {'ZINC00717479' : 10})
    r.zcard('_zinc_datazinc_ligand_1w_sort')
    r.zrange('_zinc_datazinc_ligand_1w_sort', 0, -1, withscores=True)
    r.zscore('_zinc_datazinc_ligand_1w_sort', 'ZINC00717479')
    zlib.decompress(r.get('ZINC00717479'))
    
    # Get Result
    # see script/get_result.py
    

Acknowledgements

This repository uses the following project(Alphabetical order) code:

Special thanks to the contributors.

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