pensa

View on PyPIReverse Dependencies (0)

0.3.0 pensa-0.3.0-py3-none-any.whl

Wheel Details

Project: pensa
Version: 0.3.0
Filename: pensa-0.3.0-py3-none-any.whl
Download: [link]
Size: 77034
MD5: c4ac21cb823ce1ec0a4676edcd0c3ab0
SHA256: e0e01e5518abc12520b22b9b883531e254aab9abed6a3761a30bf42b598ae5ec
Uploaded: 2023-12-03 00:34:41 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: pensa
Version: 0.3.0
Summary: exploratory analysis and comparison of biomolecular conformational ensembles.
Author: Martin Voegele, Neil Thomson, Sang Truong, Jasper McAvity
Author-Email: martinvoegele1989[at]gmail.com
Home-Page: http://github.com/drorlab/pensa
License: MIT
Classifier: Development Status :: 4 - Beta
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Requires-Dist: numpy (==1.22)
Requires-Dist: scipy (>=1.2)
Requires-Dist: pandas
Requires-Dist: matplotlib
Requires-Dist: deeptime
Requires-Dist: MDAnalysis (==2.2)
Requires-Dist: biotite
Requires-Dist: gpcrmining
License-File: LICENSE
[No description]

WHEEL

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

RECORD

Path Digest Size
pensa/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
pensa/clusters/__init__.py sha256=64afJSgceAN0tCrztMt8mWcRly6_Gu0171z4l-S1w3c 288
pensa/clusters/clustering.py sha256=tXv4hvsv1silWXQfucqG4_Ib2tUM5JNmFtad66o-K8c 10546
pensa/clusters/trajectory.py sha256=ZkVwMByj1WKpRwrARh6MXQgZoN8_r5XJ8pQkypcWCqo 1422
pensa/clusters/wss.py sha256=Mb9hH2Co1ttO4nHIMMuUdHdyIkXTTsJHEGqNhSZFoWI 5288
pensa/comparison/__init__.py sha256=9SSK5Az33mr2zbIJnZMjUSIGu1yl_Ll9YJHfqkKCuPE 840
pensa/comparison/metrics.py sha256=9V-FyPbUQF3bxag6FjzuKHZ2uSgaCVIujwD4hstrEO0 10845
pensa/comparison/projections.py sha256=R6L5RrHgOf9tJHaA4mmOYJwARvlb5FVZFjNIzU1u8fk 4439
pensa/comparison/relative_entropy.py sha256=wbeakcHeRQYYw-wEQsKoKdILxE0bEbpuqQuLVUqYeyc 4214
pensa/comparison/statespecific.py sha256=iqPmerCcFGXFBiJTi1Qv3PcS3HYK6gJSPplFrrGzhZ0 49342
pensa/comparison/statistics.py sha256=Qf0tAndi5C87GyXtOe07BwknZAG0FcargDvhml55SkI 5988
pensa/comparison/uncertainty_analysis.py sha256=sYz_ZpZ07mJZs2m6-ujB68zWvIfLDK2sSP4Ao3iRCEs 14694
pensa/comparison/visualization.py sha256=93Bl-wZ3jLLhRkAAG3DYVpqrzQktVPLFQFYNFQMfxwM 11485
pensa/dimensionality/__init__.py sha256=Vi3nQNVxTrMX746PoUnbkP_B7Q3Uj1ONfPgMRc61HH4 620
pensa/dimensionality/lda.py sha256=BPTmNzbgreeZ-AkL_NoTozATRvCtBaBbDHkyBD6XuDg 103
pensa/dimensionality/pca.py sha256=_98s7V1FQYaD68Nznt9Jb_nocjjjl257be-DL8ZfiNM 10110
pensa/dimensionality/qda.py sha256=9ygWqku-y2hE6oSqKxkhNi7_O2nLFm4ct6o2x0lVx20 106
pensa/dimensionality/tica.py sha256=ZgDSDFacdiXa6TrNuC4_efm2w99Ypo2438hllDLaY1s 11509
pensa/dimensionality/visualization.py sha256=g2fEV8ctifvoGQreD5W6g7V9K5sxBXL_g6YwmtKhjUQ 7781
pensa/features/__init__.py sha256=mJVBrxweA4dqEnrDqLOcP6dwKx19roJoAh880u_sI_c 1344
pensa/features/atom_features.py sha256=UJtvSQFmag_nFeQTS9HxKTifxGfViV-kzo68erKIrVk 7114
pensa/features/csv_features.py sha256=jPVNOW1pLarQkyNHISihZwd5fg3ke12Gt0x2L3BKR9E 1763
pensa/features/hbond_features.py sha256=t6YPWL_QWC9JjUg3vgZwjf_lm7mvtNZnABNLEB--nyg 17495
pensa/features/mda_combined.py sha256=1d0FYGE80qNEOUJooY1yLAXbc1FPLCmy8KYDY10dJwA 5761
pensa/features/mda_distances.py sha256=OuWDyFvRqY7dk6_JE-pmm2X8UeAtYljofqfhPAsMyLM 8870
pensa/features/mda_torsions.py sha256=x7t81n1zoXae-HEq8hNwX4V4pk1sxNEs9Dpy8IqnbUY 21335
pensa/features/processing.py sha256=DBZhIvi5CpbyjICfmsQAGXfviYU3CRVEj3aH11qTfi8 16804
pensa/features/pyemma_features.py sha256=7kP9Xx0ohk4VaUdLsr8giJHAe5d1CUqnRXB7dt2SrQA 7028
pensa/features/txt_features.py sha256=cYiISrNtgf1jJSoPbXrupAFnYV2WX51OhAKA1pfuuO8 1753
pensa/features/water_features.py sha256=gAdMSJ7uBiI4C5Yw1BP6YXpC1yhxSRobLq9ZfMttl6s 9797
pensa/preprocessing/__init__.py sha256=MFhKZXwKdtzbx5NWoAe9h0an66rF_xPr0mItvvEnlJI 496
pensa/preprocessing/coordinates.py sha256=onWrgtvoMW2tUSxYrs8NALDTWDPjZRtbXaeWTG9orO0 11113
pensa/preprocessing/density.py sha256=9R4Dz5Ob0SfsSb-HNie5U9RvWoHxxuORy0SAMHo__0Y 17789
pensa/preprocessing/download.py sha256=-N0I1nCfuA1QONf3rcXJKvrYL3cTjwa9a1H6BV57wI4 1679
pensa/preprocessing/selection.py sha256=hDewwOCXQSwXzatPiuIYtZl4njcBgkApxYor3poTNd0 1240
pensa/statesinfo/__init__.py sha256=-XznL3Oadkn4ceGWMMpLOoKbDBklyZj5l7oDRzim3rc 501
pensa/statesinfo/discrete_states.py sha256=nE8_ajz1BfWRB5W3C3Q9sUl4uStTqd8rOGHXJKezHqo 31544
pensa-0.3.0.dist-info/LICENSE sha256=Dt7aiTUjbsGyATtR9t2zFclpSmlF-fk_M5KPVPn51W0 1119
pensa-0.3.0.dist-info/METADATA sha256=hRVkx2s68mWIBThJO-F4HS-AIovq4x8fQRuL0ThUVIE 673
pensa-0.3.0.dist-info/WHEEL sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A 92
pensa-0.3.0.dist-info/top_level.txt sha256=BQBN1X-ujLonQnr5tAWu-CMQnYdrMJgkDer2xZu2CaM 6
pensa-0.3.0.dist-info/RECORD

top_level.txt

pensa