# ChemAgent

## Docs

- [Agent Configuration](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/agent-configuration.md): Configure and customize the ChemAgent's LangGraph workflow
- [answer_chemistry_query](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/answer-chemistry-query.md): Answer chemistry queries using the LlaSMol-Mistral-7B model for name conversions, property predictions, and molecular tasks
- [Evaluation](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/evaluation.md): Evaluate LlaSMol models on chemistry benchmarks
- [extract_terms](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/extract-terms.md): NLP-based chemistry term extraction using SpaCy
- [Generation](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/generation.md): Generate chemistry predictions using LlaSMol models
- [process_input()](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/process-input.md): Process chemistry queries with the ChemAgent and return structured results
- [pubchem_fetcher](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/pubchem-fetcher.md): PubChem API integration for chemical data retrieval
- [query_chemistry](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/query-chemistry.md): Main RAG orchestrator for chemistry-related queries
- [structure_chem_prompt](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/structure-chem-prompt.md): Structure and tag chemical information in queries for LlaSMol preprocessing
- [Training](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/training.md): Fine-tune LlaSMol models on chemistry datasets
- [validate_smiles_rdkit](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/api/validate-smiles.md): Validate SMILES strings using RDKit with detailed validity vectors for syntax and semantic error detection
- [Agent Workflow](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/concepts/agent-workflow.md): Understanding the plan-execute-replan cycle in ChemAgent
- [Architecture](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/concepts/architecture.md): Understanding ChemAgent's system design and component interactions
- [Chemistry Tags](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/concepts/chemistry-tags.md): Master the tag system for structuring chemistry queries in ChemAgent
- [LlaSMol Model](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/concepts/llasmol-model.md): Understanding the LlaSMol chemistry-specialized language model
- [Environment Variables](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/configuration/environment.md): Configure ChemAgent environment variables and API keys
- [Model Selection](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/configuration/model-selection.md): Configure and select LlaSMol models for chemistry tasks
- [VRAM Settings](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/configuration/vram-settings.md): Configure VRAM requirements and manage GPU memory for LlaSMol models
- [Chemical Reactions](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/guides/chemical-reactions.md): Predict reaction products and plan retrosynthetic routes
- [Image Processing](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/guides/image-processing.md): Extract chemical information from images using GPT-4o vision
- [Molecule Operations](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/guides/molecule-operations.md): Generate molecules from descriptions and create captions from structures
- [Name Conversion](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/guides/name-conversion.md): Convert between IUPAC names, SMILES, and molecular formulas
- [Property Prediction](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/guides/property-prediction.md): Predict molecular properties including solubility, toxicity, and bioavailability
- [PubChem RAG](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/guides/pubchem-rag.md): Augment queries with chemical data from PubChem database
- [SMILES Validation](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/guides/smiles-validation.md): Validate SMILES strings and identify chemical errors with detailed diagnostics
- [Installation](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/installation.md): Complete setup guide for ChemAgent - from dependencies to GPU configuration
- [Introduction](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/introduction.md): AI-powered chemistry agent combining LLMs, RDKit, and RAG for molecular analysis
- [Quickstart](https://mintlify.wiki/pranavkrishnasuresh/chemAgent/quickstart.md): Get started with ChemAgent in minutes - from your first query to advanced chemistry tasks