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macromol_census

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0.2.1 macromol_census-0.2.1-py3-none-any.whl

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Project: macromol_census
Version: 0.2.1
Filename: macromol_census-0.2.1-py3-none-any.whl
Download: [link]
Size: 33585
MD5: 4f8c3eaf95c914ac851955ca17076dc5
SHA256: 2e244fd2732bc58423dbcb2ba97212dc13dbc47d7051ebe2860981a2f5a12dc8
Uploaded: 2024-07-26 22:54:18 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: macromol_census
Version: 0.2.1
Summary: Tools for creating machine-learning datasets from macromolecular structure
Author-Email: Kale Kundert <kale[at]thekunderts.net>
Project-Url: Bug Tracker, https://github.com/kalekundert/macromol_census/issues
Project-Url: Continuous Integration, https://github.com/kalekundert/macromol_census/actions
Project-Url: Documentation, https://macromol-census.readthedocs.io/en/latest/
Project-Url: Test Coverage, https://coveralls.io/github/kalekundert/macromol_census
Project-Url: Version Control, https://github.com/kalekundert/macromol_census
Classifier: Programming Language :: Python :: 3
Requires-Python: ~=3.10
Requires-Dist: biopython
Requires-Dist: docopt
Requires-Dist: duckdb (>=0.10.0)
Requires-Dist: gemmi
Requires-Dist: more_itertools
Requires-Dist: networkx
Requires-Dist: numpy
Requires-Dist: polars
Requires-Dist: pyarrow
Requires-Dist: scipy
Requires-Dist: tidyexc
Requires-Dist: tqdm
Requires-Dist: sphinx; extra == "doc"
Requires-Dist: sphinx_rtd_theme; extra == "doc"
Requires-Dist: autoclasstoc; extra == "doc"
Requires-Dist: pytest; extra == "test"
Requires-Dist: parametrize_from_file; extra == "test"
Requires-Dist: pytest_unordered; extra == "test"
Provides-Extra: doc
Provides-Extra: test
Description-Content-Type: text/x-rst
[Description omitted; length: 1640 characters]

WHEEL

Wheel-Version: 1.0
Generator: flit 3.9.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
macromol_census/__init__.py sha256=x9MZMY42gt1Nais-HucuypAq6xKH5fvnDLcCwj8y5MM 639
macromol_census/database_io.py sha256=dwyjQBzpXHWFBefp2uSGoBJI0YvQrHvIXORPVu5oa00 27001
macromol_census/error.py sha256=9vAsgPB7fQYT7DW4UB5wy932aWY7W8avhWdZPN6ARiM 452
macromol_census/extract_fasta.py sha256=dKW34HZCHK4jHEKnErnyvFd_FYvvXh1BF0baSiYF8DI 4435
macromol_census/extract_nonredundant_assemblies.py sha256=lQ8wqIWy1XwLZQW_D1pXd3vGCQtNGCxstHrU4N_6vaM 3242
macromol_census/find_identical_branched_entities.py sha256=tXg_pRaJPhV_zWPL3dte-UhuE2HO4a9aW-_9UhU8DJ8 4122
macromol_census/find_identical_ligands.py sha256=vvbKLZJTgghE5k0-09-ZrLBGrXxEq6TI0IaKlrd_8Xw 537
macromol_census/ingest_blacklist.py sha256=lCs_xdVkuiY7OxMfzjeS3f82D9dSYTYzr68XHKqH2Gk 867
macromol_census/ingest_chemicals.py sha256=r-Y1Eto0prtaEfDCBgCqzH2P5x5T0HUjImBhYL8eaqk 2002
macromol_census/ingest_entity_clusters.py sha256=cRyDF8-XThkryF_3FZq6BA5g442dwbppiGFNBE-JZbA 2448
macromol_census/ingest_nonspecific_ligands.py sha256=j2nWexzTMil-qm3zMbsRFW24nfK9wUDPHoW4ZfHeqAE 1543
macromol_census/ingest_structures.py sha256=U2h2awNLebL6QgwSfNBsK7C4u_lU3kZKovaLYBzybYc 12017
macromol_census/ingest_validation.py sha256=I9YkxgHAzuYf73a7v3xeTYubMP3ClpkEwEKEhGwTX2o 3760
macromol_census/init.py sha256=6EbYzQ20ZsRFl-oA8DQzKX42a5i-q1ZB0HlJHUrca9E 477
macromol_census/pick_assemblies.py sha256=Gp7SQPLsHtYqDMbsOQmzFngyJnG2CR0OI71tfa31o48 20988
macromol_census/rank_assemblies.py sha256=BPj7qV4xctb6j9ArvPugYECACgU_s_gpLGABfAQqD0U 5664
macromol_census/rank_structures.py sha256=4Fg20T6SsDLlKdO69gp0WFUTiETVYvgcfHPQNnNxR48 2647
macromol_census/util.py sha256=fGt-2ytHeAx63HkkBqv8M32HIt2j6X4BBM3dX0Kya8w 2737
macromol_census-0.2.1.dist-info/entry_points.txt sha256=3OfBV3zi268NMLhP_01rR_HqLOm2I6_jTJpTtxm9LI0 919
macromol_census-0.2.1.dist-info/WHEEL sha256=EZbGkh7Ie4PoZfRQ8I0ZuP9VklN_TvcZ6DSE5Uar4z4 81
macromol_census-0.2.1.dist-info/METADATA sha256=vWHRFhlyn3O1Ju_go893PnTL2iR1pJt7urlqi7HmMdA 2956
macromol_census-0.2.1.dist-info/RECORD — —

entry_points.txt

[console_scripts]
mmc_extract_fasta = macromol_census.extract_fasta:main
mmc_extract_nonredundant_assemblies = macromol_census.extract_nonredundant_assemblies:main
mmc_find_identical_branched_entities = macromol_census.find_identical_branched_entities:main
mmc_find_identical_ligands = macromol_census.find_identical_ligands:main
mmc_ingest_blacklist = macromol_census.ingest_blacklist:main
mmc_ingest_chemicals = macromol_census.ingest_chemicals:main
mmc_ingest_entity_clusters = macromol_census.ingest_entity_clusters:main
mmc_ingest_nonspecific_ligands = macromol_census.ingest_nonspecific_ligands:main
mmc_ingest_structures = macromol_census.ingest_structures:main
mmc_ingest_validation = macromol_census.ingest_validation:main
mmc_init = macromol_census.init:main
mmc_pick_assemblies = macromol_census.pick_assemblies:main
mmc_rank_assemblies = macromol_census.rank_assemblies:main
mmc_rank_structures = macromol_census.rank_structures:main