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0.1.9 chemllmhack-0.1.9-py3-none-any.whl

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Project: chemllmhack
Version: 0.1.9
Filename: chemllmhack-0.1.9-py3-none-any.whl
Download: [link]
Size: 476204
MD5: 56134f9d906b185663456d96b0f6343e
SHA256: 3564f6f23b8718a3c35e81adad417cc2028495c059d800765a1fb88d9723c48a
Uploaded: 2024-07-26 13:26:17 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: chemllmhack
Version: 0.1.9
Summary: A SDK for computational chemistry LLM hackthon
Author: bowen zhang
Author-Email: bowen.zhang[at]qdx.co
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.11,<3.13
Requires-Dist: biopython (<2.0,>=1.84)
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Requires-Dist: langchain-community (<0.3.0,>=0.2.7)
Requires-Dist: langchain-mongodb (<0.2.0,>=0.1.6)
Requires-Dist: langchain-openai (<0.2.0,>=0.1.16)
Requires-Dist: langchainhub (<0.2.0,>=0.1.20)
Requires-Dist: langgraph (<0.2.0,>=0.1.9)
Requires-Dist: openpyxl (<4.0.0,>=3.1.5)
Requires-Dist: pandas (<3.0.0,>=2.2.2)
Requires-Dist: pymongo[srv] (<5.0.0,>=4.8.0)
Requires-Dist: pymupdf (<2.0.0,>=1.24.7)
Requires-Dist: pypdf (<5.0.0,>=4.3.0)
Requires-Dist: requests (<3.0.0,>=2.32.3)
Requires-Dist: scipy (<2.0.0,>=1.14.0)
Description-Content-Type: text/markdown
[Description omitted; length: 10058 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.9.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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chemllmhack/benchmark/benchmark_RMSD/benchmark_protein.pdb sha256=VF_fm0v_vzsMJa9VWr75il6ANeDJ0TVpBuySWFgnoGQ 417231
chemllmhack/benchmark/benchmark_affinity/benchmark_affinity_M.json sha256=CCDJoBxkGflPzWBb5WJT1yH-_GvOPMuoZeWZH68RdbA 24419
chemllmhack/benchmark/benchmark_affinity/benchmark_affinity_wT.json sha256=GSK4_FAVnzL5Hb-GeCGEHhQcyM5G8vIc8qsp_P0nJIc 8432
chemllmhack/calc_stats_vs_benchmark.py sha256=wacq53EmeLyJTcnnM-ykWwVfrDuml5VqrBfpGOSJbN8 4973
chemllmhack/demo/langchain_research_agent.py sha256=CkwFs1cCwR9xVYvqaQuogP7haUYB51E5Dh7GJdFkOro 5654
chemllmhack/demo/paper_db/chroma_db/chroma.sqlite3 sha256=OvJff5RSDsN-qAFh-vAF7w6se7knj8_D0_403DaWLM8 155648
chemllmhack/demo/project/project_id.txt sha256=7kaCqReaYxM8Txjq6M5vcmcNH7ktfMdfQOKNnv9JBdY 36
chemllmhack/demo/project/simulated.pdb sha256=VF_fm0v_vzsMJa9VWr75il6ANeDJ0TVpBuySWFgnoGQ 417231
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chemllmhack/rag_toolkit.py sha256=NbtJlfNKR8xeoiyC20C-P8XcgdkG4ROo3r4HBm3UAZk 10409
chemllmhack/rex_expressions.json sha256=tnUoSFHSJFRnuLxGWx10C9qBTPE3llNyI0B_NsqDqTA 19223
chemllmhack/rex_language.py sha256=ZjUQNuBaRduFdn964TCs0IjZLq8Lmnf5V_q3xYQaOfc 11137
chemllmhack/temp/BTKbindingData.xlsx sha256=Zoq1e5MMdVc96l0bUTlUKxyW6liLfy0V10jc08GzRmU 294334
chemllmhack/temp/test.py sha256=bkaXJrX1OTg6iaFPeKlm02Funl3Kaew-EmL1Jh9El3U 572
chemllmhack/temp/xls2json.py sha256=5cllTS1sAHSUryNr1IpE7D7P3Lj35dFHZV4geUs4beg 1197
chemllmhack/test_atlas.py sha256=BIPITWnOkeIOl2SgTeo_KqIgtUqV711wwVxiJTmmCgw 1680
chemllmhack/utility/xls2json.py sha256=5OcwQjCHIv9ZJeRmHvFHKsTUMEZccRt-eTtQuw-BelM 1191
chemllmhack-0.1.9.dist-info/METADATA sha256=8L9weB7coI75mchx74Vh7-hRkGJR3au1bA1O4kk6mfw 11152
chemllmhack-0.1.9.dist-info/WHEEL sha256=sP946D7jFCHeNz5Iq4fL4Lu-PrWrFsgfLXbbkciIZwg 88
chemllmhack-0.1.9.dist-info/entry_points.txt sha256=hTWF2-DHJWvo6ndHXAJDPNI94A7Sc3209Gl8Z6jdse8 61
chemllmhack-0.1.9.dist-info/RECORD — —

entry_points.txt

[console_scripts]
chemllmhack = chemllmhack.rex_language:main