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nmrgnn-data

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1.1.0 nmrgnn_data-1.1.0-py3-none-any.whl

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Project: nmrgnn-data
Version: 1.1.0
Filename: nmrgnn_data-1.1.0-py3-none-any.whl
Download: [link]
Size: 32496
MD5: 35f9fa1ffc5c10193c2e7ee9274a55b6
SHA256: 6d52a49dba24d54cc4479fc8ae431ce4ad41087eb28baddbb63adee0778281f2
Uploaded: 2023-06-08 20:01:04 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt · zip-safe

METADATA

Metadata-Version: 2.1
Name: nmrgnn-data
Version: 1.1.0
Summary: Chemical shift prediction dataset
Author: Ziyue Yang, Andrew White
Author-Email: andrew.white[at]rochester.edu
Home-Page: https://github.com/ur-whitelab/nmrdata
License: MIT
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Requires-Dist: tensorflow (>=2.7)
Requires-Dist: click
Requires-Dist: numpy
Requires-Dist: MDAnalysis (~=2.0)
Requires-Dist: importlib-resources
Requires-Dist: pdbfixer; extra == "parse"
Requires-Dist: biopython; extra == "parse"
Requires-Dist: gsd; extra == "parse"
Requires-Dist: rdkit-pypi; extra == "parse"
Provides-Extra: parse
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 3713 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.40.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
nmrdata/__init__.py sha256=kAjxPiJSwDTuHFcW01Sah5x5imbBdwp3zx2H_QWUbiQ 82
nmrdata/loading.py sha256=bUpA2MyiZCDEooumZTW2V8EMf3FBnP7AHXOSP_t4m3Y 14659
nmrdata/main.py sha256=eCQl0LNnHJfCTbzOyLZxDlo7_KOSs7FEEb3wihy5qXE 335
nmrdata/validation.py sha256=gWd9RO5QztGix4XeuRXzt4tkhW6Fr7TA-SuX627v_0k 11470
nmrdata/version.py sha256=b6-WiVk0Li5MaV2rBnHYl104TsouINojSWKqHDas0js 22
nmrdata/data/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
nmrdata/data/embeddings.pb sha256=5hegh5GTMsM6a5N_OIikXvW2Frxn7WV3XElgb5O8O7Y 8274
nmrdata/data/standards.pb sha256=1rYiapc6nAM908_1kGpMJ84Errexs-Ag8IK9YqmrFvs 557
nmrdata/parse/__init__.py sha256=aPb-E9n7DcsAOACgL0TmsxAZw45ZhxrXBV3OTX7n3xg 28
nmrdata/parse/add_dssp.py sha256=4E4eoTBb78u6_PwRt3BgPq-MiXcux9qEPM0eGwaMp-E 1851
nmrdata/parse/add_weights.py sha256=Okogk33_NHwmVLXJCTiv13Ax2GJRl3oU5sH3X6KWQx0 1817
nmrdata/parse/cascade_tfrecords.py sha256=9sNQR7ItmTaU3agLXxVr2LR__rPYXVcHDyuw_qMTlQI 4668
nmrdata/parse/label_standardize.py sha256=XMERceTKt42Ls-q-zdaSKC5xIxtJTI0TxmnfPNXritM 1752
nmrdata/parse/main.py sha256=pSLlyoTtlICKxmODDLJH3CJBLt6sfHTawfhbNGTBALY 1352
nmrdata/parse/metabolite_tfrecords.py sha256=GFkkk8kqTcKKfgvIR4mpXbAWFlHSKlTuazgIYFxy4QY 6828
nmrdata/parse/prepare_shiftx_records.py sha256=OEfuKThpJRCkgp7mkrqCgJNnH6-FkOIc41aNHpnizUg 524
nmrdata/parse/protein_tfrecords.py sha256=ntWI-Nvgq0cm7EPa91C5xqzXsZtW3n5rFD9mGcfg7z4 19428
nmrdata/parse/shiftml_tfrecords.py sha256=GUWZuzD7_CxGd8_2HZkC882HqK3qiihZgDRD7C_lmps 3567
nmrgnn_data-1.1.0.dist-info/LICENSE sha256=2S-HUXOKyCtOkjQMM0ePhdQh_Mi_rVrLPQXtCdKp5CE 1073
nmrgnn_data-1.1.0.dist-info/METADATA sha256=4gOJNhMv_pjH7QNmOBBGW193IyiaH3_W1GN4gP_bw1s 4628
nmrgnn_data-1.1.0.dist-info/WHEEL sha256=pkctZYzUS4AYVn6dJ-7367OJZivF2e8RA9b_ZBjif18 92
nmrgnn_data-1.1.0.dist-info/entry_points.txt sha256=R997WTnTJjtmvu9T9d1p-nZm4tNETJhWUWZA1w3lqYE 88
nmrgnn_data-1.1.0.dist-info/top_level.txt sha256=e5FnOvew744YBvCYetdWWKcJMzP4SQxWIYObVTftKuc 8
nmrgnn_data-1.1.0.dist-info/zip-safe sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs 1
nmrgnn_data-1.1.0.dist-info/RECORD — —

top_level.txt

nmrdata

entry_points.txt

[console_scripts]
nmrdata = nmrdata.main:nmrdata
nmrparse = nmrdata.parse.main:nmrparse

zip-safe