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pypipkg:pypi/rdkit@2024.9.x
tile.json

tessl/pypi-rdkit

tessl install tessl/pypi-rdkit@2024.9.0

Platform wheels for RDKit - a comprehensive cheminformatics and machine-learning library with Python bindings

Agent Success

Agent success rate when using this tile

89%

Improvement

Agent success rate improvement when using this tile compared to baseline

1.01x

Baseline

Agent success rate without this tile

88%

rubric.jsonevals/scenario-6/

{
  "context": "This evaluation criteria assesses how well the engineer uses RDKit's SMARTS pattern matching capabilities to solve the molecular substructure validation problem. The focus is entirely on correct usage of RDKit's substructure searching functions and SMARTS pattern handling.",
  "type": "weighted_checklist",
  "checklist": [
    {
      "name": "SMILES parsing",
      "description": "Uses MolFromSmiles() to convert SMILES strings into molecule objects",
      "max_score": 15
    },
    {
      "name": "SMARTS parsing",
      "description": "Uses MolFromSmarts() to parse SMARTS pattern strings into pattern objects",
      "max_score": 20
    },
    {
      "name": "Pattern detection",
      "description": "Uses HasSubstructMatch() to check for pattern presence in molecules",
      "max_score": 20
    },
    {
      "name": "Match extraction",
      "description": "Uses GetSubstructMatches() to find all pattern matches and extract atom indices",
      "max_score": 25
    },
    {
      "name": "Error handling",
      "description": "Handles invalid SMILES or SMARTS inputs by checking if MolFromSmiles() or MolFromSmarts() returns None",
      "max_score": 10
    },
    {
      "name": "Multi-pattern analysis",
      "description": "Correctly implements analyze_patterns() by iterating over patterns and counting matches for each",
      "max_score": 10
    }
  ]
}