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        "author": "Thomas Duigou",
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        "description": "# Database based cache to dope data retrieval for RetroPath 3\n\nHere it is a two components cache system to dope the result retrieval from reaction rules\nresults, to be used with RetroPath 3.0. The 2 components are:\n\n- A python module to be imported in RetroPath 3.0 \n- A Mongo database, which should be started independently (see \"How to run the database in\nthe background\")\n\nNotice : at reading time, some of following information might be deprecated!\n\n## Needed components\n\n- docker : https://docs.docker.com/install/\n- docker-compose : https://docs.docker.com/compose/install/\n- conda : https://docs.conda.io/projects/conda/en/latest/user-guide/install/\n\n## Setting up python environment\n\nBasically: one needs a conda environment with following packages:\n- rdkit\n- pymongo\n- pytest\n\n```bash\nconda create --name myenv python=3.6\nsource activate myenv\nconda install --channel rdkit rdkit=2018.09.1.0\nconda install --channel conda-forge pytest\nconda install pytest\nconda install pymongo\nconda install pyyaml\n```\n\n## Install as a packages\n\n```bash\npip install -e .\n```\n\n\n## How to run the database service in the background\n\n```bash\ndocker-compose -f service/run/mongo.yml up  # Or 'up -d' to start in the background\n```\n\n## Q&A\n\n- Where are stored the db files ? In a named docker data volume, see `service/run/*yml` file.\n\n\n## How to cite\n\nPlease cite: _to be completed_\n\n\n## License\n\nSee LICENSE file\n\n\n",
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