Wheelodex » Projects » AIMSim

AIMSim

View on PyPI — Reverse Dependencies (0)

2.2.2 aimsim-2.2.2-py3-none-any.whl

Wheel Details

Project: AIMSim
Version: 2.2.2
Filename: aimsim-2.2.2-py3-none-any.whl
Download: [link]
Size: 188110
MD5: d4dbe8fde9fb4dfd1ad28142f8dfa9f7
SHA256: 3a3c0ffd34a0ad089827ea944160ff44940578d55bc799f58c3186be4a030c70
Uploaded: 2024-08-13 19:53:14 +0000

dist-info

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

METADATA

Metadata-Version: 2.1
Name: aimsim
Version: 2.2.2
Summary: Python command line and GUI tool to analyze molecular similarity.
Author: Himaghna Bhattacharjee, Jackson Burns
Home-Page: https://github.com/VlachosGroup/AIMSim
License: MIT
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.8
Requires-Dist: scipy
Requires-Dist: matplotlib
Requires-Dist: seaborn
Requires-Dist: tabulate
Requires-Dist: numpy
Requires-Dist: multiprocess (>=0.70)
Requires-Dist: pandas
Requires-Dist: pyyaml (!=5.4.0,!=5.4.1,!=6.0.0,<7)
Requires-Dist: scikit-learn
Requires-Dist: rdkit
Requires-Dist: psutil
Requires-Dist: padelpy
Requires-Dist: plotly
Requires-Dist: mhfp
Requires-Dist: darkdetect
Requires-Dist: mordredcommunity
Requires-Dist: openpyxl
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 14369 characters]

WHEEL

Wheel-Version: 1.0
Generator: setuptools (72.2.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
aimsim/__init__.py sha256=e-6ptwitoOLZ3WGeyA4Cfk9iuKbFByccFE3HRleXUJA 195
aimsim/__main__.py sha256=OjaZNJbheoPUgy0E8wM5hqAvJrkhbtSDd6g1707-GtQ 453
aimsim/exceptions.py sha256=IweEh7uEpu4vtONB8a1wu4QaEPixHD4qKL3eSevjSg8 1074
aimsim/chemical_datastructures/__init__.py sha256=i1mSL6XKwvGcYYf34wM7yC-GzaOZpJv3AHRkJ7AsIbI 69
aimsim/chemical_datastructures/molecule.py sha256=vTTIOgPyAhfIxhwTM4U1NRRdPhbKxsfJFVFLYrXfSdk 10937
aimsim/chemical_datastructures/molecule_set.py sha256=AdckdF9shgoUN7k28XdW1vmOYpc3jSZhYkNAhk0MimU 48544
aimsim/ops/__init__.py sha256=eeOvpJ81XmMerIHx2Enhl4vWQEqqRYYlQXrSzNxQ3Eo 118
aimsim/ops/clustering.py sha256=SZXGa3Eui62vXRbj89Z8RcV2GuLyty-bIEpZRuIVyxU 6011
aimsim/ops/descriptor.py sha256=wn_v-RlkY6yjMZKEnOCbEC293-Q1dTmn75mdXvdk2jQ 75588
aimsim/ops/similarity_measures.py sha256=6bpmcJ0vUp9Uv7QAf2NI0YLTeZFpdtxLKLTCW7-pAdo 63184
aimsim/tasks/__init__.py sha256=XZIQtBPYrr4bosiEdx3htSt3RUqjkREBN4JwjViP7uw 480
aimsim/tasks/cluster_data.py sha256=P2XvrZtGQzgL4Dwt8tyEWekOqzVfbYohAIfo6WwXqRQ 7056
aimsim/tasks/compare_target_molecule.py sha256=XwMM-Lm8IeAyMi3z9KyuxWS6R2yYKn_qynQEClYA194 6668
aimsim/tasks/extended_similarity_indices.py sha256=KMUHfTUFOl8bXwt5vfr6fG0jhs-JynlkPq-DsH9oF2Q 10685
aimsim/tasks/identify_outliers.py sha256=cR16IQH4WAPbzK2YtGa_kxKYaSimnx_f_UhWT_3rzKw 3055
aimsim/tasks/measure_search.py sha256=mZ4TL6PWLItiJRWzzwyGnV7q37sy0PLhBeWXGe84t4s 15813
aimsim/tasks/see_property_variation_with_similarity.py sha256=o65RwBPuwMggs2ydcJIQhEK6250yO9uEfFM10LXg3K4 6883
aimsim/tasks/task.py sha256=l-MbId93gHGiooiWEb64BKqWsTtsqQGlsvtNlmDX_zA 485
aimsim/tasks/task_manager.py sha256=O9bzcvjgqz8Z5FA87DzIeH_lGE464JhuF79Zn_UHUMA 6232
aimsim/tasks/visualize_dataset.py sha256=QmTX0UgP_tCCzxuRqBZ-VszcffzetrILYaKTfHDbRmw 4603
aimsim/utils/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
aimsim/utils/ccbmlib_fingerprints.py sha256=iK5IfdP0aDzjLU4zUnt7gN-RmHS-iB6XkyHZ7MYDTm8 3853
aimsim/utils/plotting_scripts.py sha256=8CrsI7o1gEXYBjNqjOf8J6pI1_sPQ2yMxUKf_yctWZQ 17748
interfaces/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
interfaces/config_reader.py sha256=SDNkkfmLGajnm-c18Fp030Lg0bPcIg-okW7NYglFb0k 2095
interfaces/UI/AIMSim-GUI-corner-logo.png sha256=HHKA873JKMA_EC1zxXntWRy3VSvCiCXgtE7Zm5n9D4c 31374
interfaces/UI/AIMSim-logo.png sha256=tQ-aCyWHPmE7Pvv3Vq4OFGcJy0R98fU_67uYGhiKQZQ 90321
interfaces/UI/AIMSim_ui_main.py sha256=GsKBWP8xY9euYgP5Y7DXui-0Oeuo9nBVYieHPn1m8x8 19875
interfaces/UI/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
interfaces/UI/libraries/README.md sha256=3tEB7bnsdpCUV22I4Dyq5VATHygFs6lOvh3ahKpYwAs 218
aimsim-2.2.2.dist-info/LICENSE sha256=8CyksvpdPm56nnPUYxTk-kTD0QaD44f3gYUZ4fjCJKw 1095
aimsim-2.2.2.dist-info/METADATA sha256=llYT8nfM8rN5eqLm1n4Vhv-ilmo_GZG7dVsjae5ZPYs 15192
aimsim-2.2.2.dist-info/WHEEL sha256=HiCZjzuy6Dw0hdX5R3LCFPDmFS4BWl8H-8W39XfmgX4 91
aimsim-2.2.2.dist-info/entry_points.txt sha256=1oP3uQS8Mu-oKOcumSBxVlYIkhW2jNWkHWN16ghEpDo 56
aimsim-2.2.2.dist-info/top_level.txt sha256=N9ofXToCKca386oPu0PuZCVNXrl7iOq7AlSYVte8Wqo 18
aimsim-2.2.2.dist-info/RECORD — —

top_level.txt

aimsim
interfaces

entry_points.txt

[console_scripts]
aimsim = aimsim.__main__:start_AIMSim