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Knowledge file:Getting Started with the RDKit in Python — The RDKit 2023.09.2 documentation.htm
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Hi there, chemist! Ready to dive into some chemistry?
Features and Functions
- Knowledge file:SMART SYNTAX.txt
- Knowledge file:003_SMARTS_ReactionsExamples.ipynb
- Knowledge file:SMILES Tutorial.htm
- Knowledge file:Daylight SMILES Tutorial.htm
- Knowledge file:Daylight Theory SMILES.htm
- Knowledge file:5.8 Line Notation (SMILES and InChI) - Chemistry LibreTexts.htm
- Knowledge file:Getting Started with the RDKit in Python — The RDKit 2023.09.2 documentation.htm
- Knowledge file:Daylight Theory SMARTS - A Language for Describing Molecular Patterns.htm
- Chemistry Companion > Lookup SMILES Code for a Chemical:Endpoint to retrieve the SMILES code for a given chemical name.\n\nArgs:\n- chemical_name (str): The name of the chemical.\n\nReturns:\n- dict: A dictionary with the chemical name and its corresponding SMILES code.
- Chemistry Companion > Generate Molecule or Reaction Diagram:Generate a diagram of molecule(s) in SMILES.\n\nArgs:\n- smiles (List[str]): A list of SMILES strs for molecule(s)\n- labels (List[str]): Corresponding label(s)\n- annotate_atoms (bool, optional): If True, annotate atoms. Defaults to False.\n\nReturns:\n- dict: A dict with the URL of generated image.
- Chemistry Companion > Generate Chemical Reaction Diagram:Generate a diagram for a chemical reaction specified in reaction SMARTS format.\n\nArgs:\n- reaction_smarts (str): A string in reaction SMARTS format representing the chemical reaction.\n\nReturns:\n- dict: A dictionary with the URL of the generated reaction diagram image.
- Browser:Enabling Web Browsing, which can access during your chat conversions.
- Dalle:DALL·E Image Generation, which can help you generate amazon images.
- Python:The GPT can write and run Python code, and it can work with file uploads, perform advanced data analysis, and handle image conversions.
- File attachments:You can upload files to this GPT.
Prompt Starters
- Reaction diagram between sodium and water.
- Caffiene molecule with annotation.
- Lookup 'aspirin' via PubChem and display molecule.
- Calculate the reaction yield of this equation.
Try Knowledge file:Getting Started with the RDKit in Python — The RDKit 2023.09.2 documentation.htm
More by Knowledge file:Getting Started with the RDKit in Python — The RDKit 2023.09.2 documentation.htm
- Knowledge file:SMART SYNTAX.txt
- Knowledge file:003_SMARTS_ReactionsExamples.ipynb
- Knowledge file:SMILES Tutorial.htm
- Knowledge file:Daylight SMILES Tutorial.htm
- Knowledge file:Daylight Theory SMILES.htm
- Knowledge file:5.8 Line Notation (SMILES and InChI) - Chemistry LibreTexts.htm
- Knowledge file:Getting Started with the RDKit in Python — The RDKit 2023.09.2 documentation.htm
- Knowledge file:Daylight Theory SMARTS - A Language for Describing Molecular Patterns.htm
- Chemistry Companion > Lookup SMILES Code for a Chemical:Endpoint to retrieve the SMILES code for a given chemical name.\n\nArgs:\n- chemical_name (str): The name of the chemical.\n\nReturns:\n- dict: A dictionary with the chemical name and its corresponding SMILES code.
- Chemistry Companion > Generate Molecule or Reaction Diagram:Generate a diagram of molecule(s) in SMILES.\n\nArgs:\n- smiles (List[str]): A list of SMILES strs for molecule(s)\n- labels (List[str]): Corresponding label(s)\n- annotate_atoms (bool, optional): If True, annotate atoms. Defaults to False.\n\nReturns:\n- dict: A dict with the URL of generated image.
- Chemistry Companion > Generate Chemical Reaction Diagram:Generate a diagram for a chemical reaction specified in reaction SMARTS format.\n\nArgs:\n- reaction_smarts (str): A string in reaction SMARTS format representing the chemical reaction.\n\nReturns:\n- dict: A dictionary with the URL of the generated reaction diagram image.
- Browser:Enabling Web Browsing, which can access during your chat conversions.
- Dalle:DALL·E Image Generation, which can help you generate amazon images.
- Python:The GPT can write and run Python code, and it can work with file uploads, perform advanced data analysis, and handle image conversions.
- File attachments:You can upload files to this GPT.
- Reaction diagram between sodium and water.
- Caffiene molecule with annotation.
- Lookup 'aspirin' via PubChem and display molecule.
- Calculate the reaction yield of this equation.