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0.3.0 AtomicAI-0.3.0-py3-none-any.whl

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Project: AtomicAI
Version: 0.3.0
Filename: AtomicAI-0.3.0-py3-none-any.whl
Download: [link]
Size: 81970
MD5: 9fa24b4ae16fb0662280f4195c2096df
SHA256: 3aa1758b07cdda04bc8e4ae74aedc5485718814496ffbc39ad8b8c35d82b015f
Uploaded: 2023-02-24 09:31:19 +0000

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METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: AtomicAI
Version: 0.3.0
Summary: Processing and visualization of atomic coordinates
Author: Selva Chandrasekaran Selvaraj
Author-Email: selvachandrasekar.s[at]gmail.com
Home-Page: https://sites.google.com/view/selvas
Project-Url: Bug Tracker, https://github.com/SelvaGith/AtomicAI/issues
Project-Url: Source, https://github.com/SelvaGith/AtomicAI
Project-Url: Twitter, https://twitter.com/selva_odc
Project-Url: LinkedIn, https://www.linkedin.com/in/SelvaCS/?original_referer=https%3A%2F%2Fwww.google.com%2F
Project-Url: Scopus, https://www.scopus.com/authid/detail.uri?authorId=57225319817
Project-Url: Scholar, https://scholar.google.com/citations?user=vNozeNYAAAAJ&hl=en
License: MIT
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3.9
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Requires-Python: >=3.9
Requires-Dist: pip (>=22.1.2)
Requires-Dist: wheel (>=0.37.1)
Description-Content-Type: text/markdown
License-File: LICENSE.md
[Description omitted; length: 1412 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.38.4)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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AtomicAI-0.3.0.dist-info/RECORD — —

top_level.txt

AtomicAI
tests

entry_points.txt

[console_scripts]
cif2cq = AtomicAI.tools.cif2cq:cif2cq
cq2cif = AtomicAI.tools.cq2cif:cq2cif
cq2vasp = AtomicAI.tools.cq2vasp:cq2vasp
dim_reduction = AtomicAI.dim_reduction.dim_reduction:dim_reduction
dim_reduction_mpi = AtomicAI.dim_reduction.dim_reduction_mpi:dim_reduction_mpi
generate_descriptors = AtomicAI.descriptors.calculate_descriptors:calculate_descriptors
laaf = AtomicAI.descriptors.calculate_laaf_des:calculate_laaf_des
lpp = AtomicAI.dim_reduction.lpp:lpp
optimize_tslpp_hyperparameters_with_prediction = AtomicAI.dim_reduction.perform_tslpp_for_hyperparameters_with_prediction:perform_tslpp_hyperparameters
optimize_tslpp_hyperparameters_without_prediction = AtomicAI.dim_reduction.perform_tslpp_for_hyperparameters:perform_tslpp_hyperparameters
pca = AtomicAI.dim_reduction.pca:pca
plot_clusters = AtomicAI.plots.plot_clusters:plot_clusters
plot_md_stats = AtomicAI.plots.plot_md_stats:plot_md_stats
plot_rdf_data = AtomicAI.plots.plot_rdf_data:read_RDF_data
predict_tslpp = AtomicAI.dim_reduction.perform_tslpp_predict:perform_tslpp_predict
rdf = AtomicAI.tools.rdf:RDF
structure_analysis = AtomicAI.tools.structure_analysis:structure_analysis
vasp2cif = AtomicAI.tools.vasp2cif:vasp2cif
vasp2cq = AtomicAI.tools.vasp2cq:vasp2cq
vasp2xyz = AtomicAI.tools.vasp2xyz:vasp2xyz
xyz2vasp = AtomicAI.tools.xyz2vasp:xyz2vasp