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chemreps

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0.1.0 chemreps-0.1.0-py3-none-any.whl

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Project: chemreps
Version: 0.1.0
Filename: chemreps-0.1.0-py3-none-any.whl
Download: [link]
Size: 18995
MD5: e856e79521a78dc07e58ce38d887ec97
SHA256: ccc0473365337efeba7a297ce7cb49dd436901e0e619b9f4aa0bff185e7df9ad
Uploaded: 2019-06-28 15:05:02 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: chemreps
Version: 0.1.0
Summary: Molecular machine learning representations
Maintainer: Dakota Folmsbee, Amanda Dumi, Shiv Upadhyay
Maintainer-Email: dfolmsbee[at]gmail.com, amandaedumi[at]gmail.com, shivnupadhyay[at]gmail.com
Home-Page: https://github.com/chemreps/chemreps
License: MIT License
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python
Classifier: License :: OSI Approved :: MIT License
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Dist: cclib (>=1.5)
Requires-Dist: numpy (>=1.12)
Description-Content-Type: text/markdown
[Description omitted; length: 2812 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.33.4)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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chemreps/bag_of_bonds.py sha256=ztTGBsxezfVGP01_e2OA9-2p7AbroQGFGjf91FSFsn4 1960
chemreps/bagger.py sha256=JrXjWsWeNGprBMuW3EqO-Fy2k1KOvNSdtoPXweFEEcw 14712
chemreps/bat.py sha256=lRkcJ014qpK-ogemPK3kYNc268sH4oFVldD1M0lNdt4 6346
chemreps/coulomb_matrix.py sha256=DY_olAXFvk7lGuTbU8EEwNJIwYGz4A97qOc4_WQclNY 1536
chemreps/dataset.py sha256=Uvx-xk19fGU7AaU4h-Ekc4O_OaJO0BJ5rRC9nZlgQ-8 2460
chemreps/just_bonds.py sha256=Xd4HaG5ikGGowMVYah2IkLWensb2UNR1Ewh3kD0L0uk 2886
chemreps/data/qm9_bags.pkl sha256=ebJdv0RhelfWcWS0qMM5Pyx7RngO5k-cRZtFR7P_MXI 2922
chemreps/utils/__init__.py sha256=QZrMVH0gMFFbAClgiWjd7_uWf8kAKtl4SRPjNF2m70Y 275
chemreps/utils/bag_handler.py sha256=OlsVL7EWEFgmIKBluufvrUKMkAJ08zqU32FvtjEdWGU 2093
chemreps/utils/calcs.py sha256=19HxEz8mdOZkzPkgNFvpD6u8Xrx71bffx_KcuzLsVgc 3216
chemreps/utils/molecule.py sha256=yqqZhxvTjTy75lus3fEp_2EO3EEXjHE8y-BxYw5oZ10 8081
chemreps-0.1.0.dist-info/AUTHORS.md sha256=4RdfT0oV57a7OBh8R3Bzrzx7lplERJxFpAm86umUkHs 142
chemreps-0.1.0.dist-info/LICENSE sha256=ttZ1bjnxJ2loML_U0o-lhyKAY1SU1btw-RUlp8k-Lio 1065
chemreps-0.1.0.dist-info/METADATA sha256=gpYCcYul-x31KJ_lfKTACFOohH4m_tGA3xytzdGK0NY 3489
chemreps-0.1.0.dist-info/WHEEL sha256=S8S5VL-stOTSZDYxHyf0KP7eds0J72qrK0Evu3TfyAY 92
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chemreps-0.1.0.dist-info/RECORD — —

top_level.txt

chemreps