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guacamol

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0.5.5 guacamol-0.5.5-py3-none-any.whl

Wheel Details

Project: guacamol
Version: 0.5.5
Filename: guacamol-0.5.5-py3-none-any.whl
Download: [link]
Size: 38372
MD5: 2d25ad6d6af41269cc997bd5cb0abea8
SHA256: 9fea8922fa11513d605a2f97b72aa1b4b82c2109f6366b0ccb0bbdeabddaa131
Uploaded: 2023-09-19 22:21:00 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: guacamol
Version: 0.5.5
Summary: Guacamol: benchmarks for de novo molecular design
Author: BenevolentAI
Author-Email: guacamol[at]benevolent.ai
Home-Page: https://github.com/BenevolentAI/guacamol
License: MIT
Requires-Python: >=3.6
Requires-Dist: joblib (>=0.12.5)
Requires-Dist: numpy (>=1.15.2)
Requires-Dist: scipy (>=1.1.0)
Requires-Dist: tqdm (>=4.26.0)
Requires-Dist: FCD (>=1.1)
Requires-Dist: rdkit-pypi (>=2021.9.2.1)
Requires-Dist: rdkit (>=2018.09.1.0); extra == "rdkit"
Provides-Extra: rdkit
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 4285 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
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guacamol/assess_distribution_learning.py sha256=6yuR-ceBv0qdivFZNUanwWh0--FpbIJtBCP0rCZE2HI 4189
guacamol/assess_goal_directed_generation.py sha256=I5P2isDFXIAr4XeWvlM63Gexz9pOGu8NmOZSwM4sLaY 3115
guacamol/benchmark_suites.py sha256=WoN7JbRo4ABwk9-IryMfYI3E1d6ozo32Sj1dqyWQJ6A 6618
guacamol/common_scoring_functions.py sha256=fNzxRGY0maP4Jw3Mo9K0e-mBI45I-toaCyhNEIzeNSo 6529
guacamol/distribution_learning_benchmark.py sha256=xSj6G-nSHt_ACtq4fOJadlJIKjxGXJz92WCn_3YEiQo 10609
guacamol/distribution_matching_generator.py sha256=TjSSHt5bFF0V5Z6CIrMpO5vgvz9kIDUVp6De8rlr-IA 469
guacamol/frechet_benchmark.py sha256=trvEM5YRG5ZBRIR3RESZAG_eTAqv6df9nqsLZDuH7IE 3986
guacamol/goal_directed_benchmark.py sha256=Jmp9XNjIdarUwbUWdOs9QcAipKqP6okkzsmGaF_eFfU 5427
guacamol/goal_directed_generator.py sha256=tmjunwzhhCybmKeAF8ky34q8k6tWEcLSfk-XiSHoXFA 875
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guacamol/py.typed sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
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guacamol/scoring_function.py sha256=qn7djcq9mKN5nFiW2iPhzPMefb1tx7QoTFktuaU1IH4 8273
guacamol/standard_benchmarks.py sha256=AngjOLIN7bXdSbB33Zxs4zIlWe6lt7BQvOxOWpjz4IU 21205
guacamol/data/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
guacamol/data/get_data.py sha256=-GZVuyvicntBZG_js8MI547TBR21_fs5y3OC7b9YvWg 8467
guacamol/data/holdout_set_gcm_v1.smiles sha256=wkKtc20AYNevmvpdBvQYxNpip8LehV0rdlgvqgVSBkA 653
guacamol/utils/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
guacamol/utils/chemistry.py sha256=-TOBH63DAE3XwacJ0XP48qN38BMI2-_R-ORb_7RlOPM 11276
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guacamol/utils/descriptors.py sha256=Y_WucEtHhv79RYod0w4fygyUF7jOAsaX3meG5XTnmLg 1637
guacamol/utils/fingerprints.py sha256=VfobQ_bCngCLuEzBqNVXFqXUC2LAbUASQmR6lo53v-s 1628
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guacamol/utils/sampling_helpers.py sha256=0nbW5Ra7uW3fvPzqIUFbE3qQCCvSqilqCH8wNyl0hCU 2784
guacamol-0.5.5.dist-info/LICENSE sha256=sZZNVU9FRGIGygjGFL_f8NRxxQPabNKq9d3cLpTZ6oA 1069
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guacamol-0.5.5.dist-info/RECORD — —

top_level.txt

guacamol