生成sft数据,设置OQMD的代理,测试mars-t1

mars_toolkit/__init__.py

@@ -15,7 +15,7 @@ from mars_toolkit.compute.structure_opt import optimize_crystal_structure, conve
 from mars_toolkit.query.mp_query import (
     search_material_property_from_material_project,
     get_crystal_structures_from_materials_project,
-    get_mpid_from_formula
+    #get_mpid_from_formula
 )
 from mars_toolkit.query.oqmd_query import fetch_chemical_composition_from_OQMD
 from mars_toolkit.query.dify_search import retrieval_from_knowledge_base

mars_toolkit/core/config.py

@@ -22,11 +22,11 @@ class Config:
     HTTPS_PROXY = 'http://192.168.168.1:20171'
 
     # FairChem
-    FAIRCHEM_MODEL_PATH = '/home/ubuntu/50T/nfs/lzy/mars-mcp/pretrained_models/fairchem_ckpt/eqV2_86M_omat_mp_salex.pt'
+    FAIRCHEM_MODEL_PATH = '/home/ubuntu/sas0/lzy/mars-mcp/pretrained_models/fairchem_ckpt/eqV2_86M_omat_mp_salex.pt'
     FMAX = 0.05
 
     # MatterGen
-    MATTERGENMODEL_ROOT = '/home/ubuntu/50T/nfs/lzy/mars-mcp/pretrained_models/mattergen_ckpt'
+    MATTERGENMODEL_ROOT = '/home/ubuntu/sas0/lzy/mars-mcp/pretrained_models/mattergen_ckpt'
     MATTERGEN_ROOT='/home/ubuntu/50T/nfs/lzy/mars-mcp/mattergen'
     MATTERGENMODEL_RESULT_PATH = 'results/'
 

mars_toolkit/query/oqmd_query.py

@@ -1,11 +1,13 @@
 import logging
+import os
 import httpx
 import pandas as pd
 from bs4 import BeautifulSoup
 from io import StringIO
 from typing import Annotated
 
-from mars_toolkit.core.llm_tools import llm_tool
+from ..core import config
+from ..core.llm_tools import llm_tool
 
 logger = logging.getLogger(__name__)
 
@@ -23,6 +25,8 @@ async def fetch_chemical_composition_from_OQMD(
         Formatted text with material information and property tables
     """
     # Fetch data from OQMD
+    os.environ['HTTP_PROXY'] = config.HTTP_PROXY or ''
+    os.environ['HTTPS_PROXY'] = config.HTTPS_PROXY or ''
     url = f"https://www.oqmd.org/materials/composition/{composition}"
     try:
         async with httpx.AsyncClient(timeout=100.0) as client: