47 lines
1.3 KiB
Python
47 lines
1.3 KiB
Python
"""
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Mars Toolkit
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A comprehensive toolkit for materials science research, providing tools for:
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- Material generation and property prediction
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- Structure optimization
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- Database queries (Materials Project, OQMD)
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- Knowledge base retrieval
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- Web search
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Author: Yutang LI
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Institution: SIAT-MIC
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Contact: yt.li2@siat.ac.cn
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"""
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# Core modules
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from mars_toolkit.core.config import config
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from mars_toolkit.core.utils import setup_logging
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# Basic tools
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from mars_toolkit.misc.misc_tools import get_current_time
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# Compute modules
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from mars_toolkit.compute.material_gen import generate_material
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from mars_toolkit.compute.property_pred import predict_properties
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from mars_toolkit.compute.structure_opt import optimize_crystal_structure, convert_structure
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# Query modules
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from mars_toolkit.query.mp_query import (
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search_material_property_from_material_project,
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get_crystal_structures_from_materials_project,
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get_mpid_from_formula
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)
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from mars_toolkit.query.oqmd_query import fetch_chemical_composition_from_OQMD
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from mars_toolkit.query.dify_search import retrieval_from_knowledge_base
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from mars_toolkit.query.web_search import search_online
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from mars_toolkit.core.llm_tools import llm_tool, get_tools, get_tool_schemas
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# Initialize logging
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setup_logging()
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__version__ = "0.1.0"
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__all__ = ["llm_tool", "get_tools", "get_tool_schemas"]
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