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feat: Mr-Dice_v0.82 add Mofdb agent
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Lines changed: 44 additions & 44 deletions

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‎agents/matmaster_agent/MrDice_agent/agent.py‎

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@@ -5,15 +5,15 @@
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from agents.matmaster_agent.MrDice_agent.bohriumpublic_agent.agent import (
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init_bohriumpublic_database_agent,
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)
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from agents.matmaster_agent.MrDice_agent.mofdb_agent.agent import (
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init_mofdb_database_agent,
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)
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from agents.matmaster_agent.MrDice_agent.openlam_agent.agent import (
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init_openlam_database_agent,
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)
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from agents.matmaster_agent.MrDice_agent.optimade_agent.agent import (
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init_optimade_database_agent,
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)
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from agents.matmaster_agent.MrDice_agent.mofdb_agent.agent import (
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init_mofdb_database_agent,
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)
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from agents.matmaster_agent.MrDice_agent.prompt import (
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MrDiceAgentDescription,
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MrDiceAgentInstruction,

‎agents/matmaster_agent/MrDice_agent/bohriumpublic_agent/constant.py‎

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BOHRIUMPUBLIC_DATABASE_AGENT_NAME = 'bohriumpublic_agent'
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if CURRENT_ENV in ['test', 'uat']:
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BOHRIUMPUBLIC_URL="http://bekc1366122.bohrium.tech:50003/sse"
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BOHRIUMPUBLIC_URL = 'http://bekc1366122.bohrium.tech:50003/sse'
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# BOHRIUMPUBLIC_URL = 'http://jjxr1366132.bohrium.tech:50003/sse'
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else:
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BOHRIUMPUBLIC_URL = 'https://mr-dice-bohriumpublic-uuid1758096978.app-space.dplink.cc/sse?token=f395e31f5d5d48bc9d1d7018989e12bd'

‎agents/matmaster_agent/MrDice_agent/mofdb_agent/agent.py‎

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@@ -5,6 +5,7 @@
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from agents.matmaster_agent.base_agents.job_agent import CalculationMCPLlmAgent
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from agents.matmaster_agent.constant import LOCAL_EXECUTOR, BohriumStorge
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from agents.matmaster_agent.MrDice_agent.constant import MrDice_Agent_Name
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from agents.matmaster_agent.MrDice_agent.mofdb_agent.constant import (
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MOFDB_URL,
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)
@@ -13,7 +14,6 @@
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MofdbAgentInstruction,
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MofdbAgentName,
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)
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from agents.matmaster_agent.MrDice_agent.constant import MrDice_Agent_Name
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load_dotenv()
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‎agents/matmaster_agent/MrDice_agent/mofdb_agent/constant.py‎

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@@ -3,7 +3,7 @@
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MOFDB_DATABASE_AGENT_NAME = 'mofdb_agent'
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if CURRENT_ENV in ['test', 'uat']:
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MOFDB_URL="http://bekc1366122.bohrium.tech:50004/sse"
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MOFDB_URL = 'http://bekc1366122.bohrium.tech:50004/sse'
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# MOFDB_URL = 'http://jjxr1366132.bohrium.tech:50003/sse'
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else:
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MOFDB_URL = 'https://mr-dice-mofdb-uuid1758704787.app-space.dplink.cc/sse?token=c15a46f6440d41b086aca38446d959bf'

‎agents/matmaster_agent/MrDice_agent/mofdb_agent/prompt.py‎

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Original file line numberDiff line numberDiff line change
@@ -1,9 +1,9 @@
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MofdbAgentName = "mofdb_agent"
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MofdbAgentName = 'mofdb_agent'
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MofdbAgentDescription = (
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"An agent specialized in retrieving MOF (Metal-Organic Framework) structures from the MOFdb database. "
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"Supports flexible queries by MOFid, MOFkey, name, database source, void fraction, pore sizes, and surface area. "
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"Results can be exported in CIF or JSON format for structural visualization or metadata analysis."
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'An agent specialized in retrieving MOF (Metal-Organic Framework) structures from the MOFdb database. '
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'Supports flexible queries by MOFid, MOFkey, name, database source, void fraction, pore sizes, and surface area. '
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'Results can be exported in CIF or JSON format for structural visualization or metadata analysis.'
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)
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MofdbAgentInstruction = """
@@ -62,44 +62,44 @@
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The response must always include:
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1. ✅ A brief explanation of the filters applied.
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2. 📊 A Markdown table of the retrieved MOFs with columns (fixed order):
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(1) Name
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(2) MOFid
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(3) MOFkey
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(4) Database
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(5) Void Fraction
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(6) LCD (Å)
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(7) PLD (Å)
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(8) Surface Area (m²/g)
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(9) Surface Area (m²/cm³)
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(10) Download link (CIF/JSON, based on `output_formats`)
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- All missing values must be shown as **Not Provided**.
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(1) Name
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(2) MOFid
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(3) MOFkey
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(4) Database
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(5) Void Fraction
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(6) LCD (Å)
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(7) PLD (Å)
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(8) Surface Area (m²/g)
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(9) Surface Area (m²/cm³)
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(10) Download link (CIF/JSON, based on `output_formats`)
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- All missing values must be shown as **Not Provided**.
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- The number of rows must exactly equal `n_found`.
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3. 📦 The `output_dir` path returned by the tool (for download/archive).
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If `n_found = 0`, clearly state that no matches were found, repeat the applied filters, and suggest loosening criteria. Do **not** generate an empty table.
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## DEMOS (用户问题 → 工具与参数)
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1) 用户：我想查 tobmof-27
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→ Tool: fetch_mofs
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name: "tobmof-27"
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database: "Tobacco"
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1) 用户：我想查 tobmof-27
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→ Tool: fetch_mofs
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name: "tobmof-27"
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database: "Tobacco"
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2) 用户：我想要比表面积 500–1000 m²/g 且 LCD 在 6–8 Å 之间的 MOF
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→ Tool: fetch_mofs
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sa_m2g_min: 500
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sa_m2g_max: 1000
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lcd_min: 6.0
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lcd_max: 8.0
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2) 用户：我想要比表面积 500–1000 m²/g 且 LCD 在 6–8 Å 之间的 MOF
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→ Tool: fetch_mofs
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sa_m2g_min: 500
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sa_m2g_max: 1000
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lcd_min: 6.0
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lcd_max: 8.0
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3) 用户：我有一个 MOFid：[O-]C(=O)c1cc(F)c(c(c1F)F)C(=O)[O-].[O-]C(=O)c1cc(F)c(cc1F)C(=O)[O-].[O-]C(=O)c1ccc(c(c1)F)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.pcu.cat1，能帮我查一下吗？
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→ Tool: fetch_mofs
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mofid: "[O-]C(=O)c1cc(F)c(c(c1F)F)C(=O)[O-].[O-]C(=O)c1cc(F)c(cc1F)C(=O)[O-].[O-]C(=O)c1ccc(c(c1)F)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.pcu.cat1"
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3) 用户：我有一个 MOFid：[O-]C(=O)c1cc(F)c(c(c1F)F)C(=O)[O-].[O-]C(=O)c1cc(F)c(cc1F)C(=O)[O-].[O-]C(=O)c1ccc(c(c1)F)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.pcu.cat1，能帮我查一下吗？
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→ Tool: fetch_mofs
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mofid: "[O-]C(=O)c1cc(F)c(c(c1F)F)C(=O)[O-].[O-]C(=O)c1cc(F)c(cc1F)C(=O)[O-].[O-]C(=O)c1ccc(c(c1)F)C(=O)[O-].[Zn][O]([Zn])([Zn])[Zn] MOFid-v1.pcu.cat1"
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4) 用户：我知道一个 MOFkey：Cu.QMKYBPDZANOJGF.MOFkey-v1.tbo，帮我找一下对应的结构
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→ Tool: fetch_mofs
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mofkey: "Cu.QMKYBPDZANOJGF.MOFkey-v1.tbo"
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4) 用户：我知道一个 MOFkey：Cu.QMKYBPDZANOJGF.MOFkey-v1.tbo，帮我找一下对应的结构
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→ Tool: fetch_mofs
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mofkey: "Cu.QMKYBPDZANOJGF.MOFkey-v1.tbo"
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5) 用户：我想查找名叫 ABAYIO_clean 的 MOF，并导出所有信息
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→ Tool: fetch_mofs
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name: "ABAYIO_clean"
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output_formats: ["cif","json"]
105-
"""
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5) 用户：我想查找名叫 ABAYIO_clean 的 MOF，并导出所有信息
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→ Tool: fetch_mofs
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name: "ABAYIO_clean"
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output_formats: ["cif","json"]
105+
"""

‎agents/matmaster_agent/MrDice_agent/openlam_agent/constant.py‎

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OPENLAM_DATABASE_AGENT_NAME = 'openlam_agent'
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if CURRENT_ENV in ['test', 'uat']:
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OPENLAM_URL="http://bekc1366122.bohrium.tech:50002/sse"
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OPENLAM_URL = 'http://bekc1366122.bohrium.tech:50002/sse'
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# OPENLAM_URL = 'http://jjxr1366132.bohrium.tech:50002/sse'
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else:
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OPENLAM_URL = 'https://mr-dice-openlam-uuid1758096918.app-space.dplink.cc/sse?token=c2c0edb9c99f454896c4965ef1a5cf28'

‎agents/matmaster_agent/MrDice_agent/optimade_agent/constant.py‎

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OPTIMADE_DATABASE_AGENT_NAME = 'optimade_agent'
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if CURRENT_ENV in ['test', 'uat']:
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OPTIMADE_URL="http://bekc1366122.bohrium.tech:50001/sse"
6+
OPTIMADE_URL = 'http://bekc1366122.bohrium.tech:50001/sse'
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# OPTIMADE_URL = 'http://jjxr1366132.bohrium.tech:50001/sse'
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else:
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OPTIMADE_URL = 'https://material-data-retriever-uuid1754467958.app-space.dplink.cc/sse?token=16a1dd29dbb54cf9bf75748ba8df282d'

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