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therayelab
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MolecuRank_Demo
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MolecuRank_Demo / src
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  • 1 contributor
History: 4 commits
therayelab's picture
therayelab
Add guided linear step-by-step discovery workflow
0800184 verified 2 days ago
  • __init__.py
    57 Bytes
    Publish MolecuRank AI + computational chemistry demo 2 days ago
  • agents.py
    3.89 kB
    Add guided linear step-by-step discovery workflow 2 days ago
  • chemistry.py
    1.35 kB
    Publish MolecuRank AI + computational chemistry demo 2 days ago
  • demo_data.py
    1.74 kB
    Publish MolecuRank AI + computational chemistry demo 2 days ago
  • discovery.py
    3.57 kB
    Fix ChEMBL phase handling and refresh visual palette 2 days ago
  • exports.py
    709 Bytes
    Publish MolecuRank AI + computational chemistry demo 2 days ago
  • literature.py
    1.39 kB
    Publish MolecuRank AI + computational chemistry demo 2 days ago
  • retrieval.py
    5.1 kB
    Automate PubMed and ChEMBL discovery workflow 2 days ago
  • scoring.py
    3.4 kB
    Publish MolecuRank AI + computational chemistry demo 2 days ago