Wheelodex » Projects » signaturizer3D

signaturizer3D

View on PyPI — Reverse Dependencies (0)

0.1.8 signaturizer3d-0.1.8-py3-none-any.whl

Wheel Details

Project: signaturizer3D
Version: 0.1.8
Filename: signaturizer3d-0.1.8-py3-none-any.whl
Download: [link]
Size: 56694
MD5: 7299f9a850a4037f404bd90f52be7ee5
SHA256: 8c40633f182660f1ca5d1d591240418bfb6f6166c431504a46cd3735fa571512
Uploaded: 2024-03-24 18:45:34 +0000

dist-info

METADATA · WHEEL · RECORD

METADATA

Metadata-Version: 2.1
Name: signaturizer3D
Version: 0.1.8
Summary: Infer the bioactivity of molecules using models trained on molecular 3D structures.
Author: Aksel Lenes
Author-Email: aksel.lenes[at]irbbarcelona.org
Home-Page: https://gitlabsbnb.irbbarcelona.org/alenes/signaturizer3d
Project-Url: Repository, https://gitlabsbnb.irbbarcelona.org/alenes/signaturizer3d
License: MIT
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.9,<3.13
Requires-Dist: addict (<3.0.0,>=2.0.0)
Requires-Dist: chardet (<6.0.0,>=5.2.0)
Requires-Dist: numpy (<2.0.0,>=1.0.0)
Requires-Dist: pandas (<3.0.0,>=2.0.0)
Requires-Dist: rdkit-pypi (<2023.0.0,>=2022.9.3)
Requires-Dist: tqdm (<5.0.0,>=4.0.0)
Description-Content-Type: text/markdown
[Description omitted; length: 6494 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.9.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
signaturizer3d/__init__.py sha256=PFruIEizSyk7nlplB3dD1odJ_8HvN5fo05VK5iwcWvw 133
signaturizer3d/inference.py sha256=oFVDHRjegSWcT3Krpn63LGrf5shCSSFhX4dH29ajuzA 1353
signaturizer3d/input/__init__.py sha256=MspbIRpOwCW3jNvxuoZUEuT-K9x-tg3JKjGlt7OVTmI 135
signaturizer3d/input/sdf.py sha256=lyTE90d2NJaPHz1klrbxUo_B7uN1nMNktIZbSaEdo8I 2124
signaturizer3d/input/smiles.py sha256=ZJ7tg2ug503QBR7Xn8ltWFkWQ-RIPXcImaMNQwMwRIA 2962
signaturizer3d/input/unimol_adapter.py sha256=ij3rajEr6HYoIUGaJyBDGTDdUXE2f06amVBWHOqOe6o 3718
signaturizer3d/model.py sha256=DVX3B1tG1MCYZciNgemHQ4wSDa-rGM9x1OMvknbc8lI 2489
signaturizer3d/normalize/normalize.py sha256=6djzgtEXG1_FXwa6nJAoySZgqc27oyWXr0HXpm85UHo 738
signaturizer3d/normalize/space_means.pkl sha256=dansdORqzz_VhqIwS-scP4PKgKlUPEQNCDgy6cnZtBI 13871
signaturizer3d/normalize/space_stds.pkl sha256=fLbHOoHxWPmGppC7x_I7z-CoxNlt2cBilBDDVQxdEjc 13871
signaturizer3d/signaturizer.py sha256=B01Ze7NXH0NTh4h1lSq3V0f6mUqGcKnNtR85P_TWwL8 1752
signaturizer3d/space.py sha256=gEB10HYhTOKRqf2soPXl_Qi77WHdrndJMI5WUkJNg98 1032
signaturizer3d/unicore/LICENSE sha256=ht-dAaTN43c9qajIleWxaZqhn_iZ4TCn0kIeJXcKNQw 1070
signaturizer3d/unicore/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
signaturizer3d/unicore/dictionary.py sha256=er4ydqSlrwFgqJQZdhA1HO1gGiwmAsLBxLn1abnoU5k 4625
signaturizer3d/unicore/layer_norm.py sha256=i_f15EohV-w4IVJOPJv1FPq4QyD5URfjOE1Ul0nGyx8 4231
signaturizer3d/unicore/multihead_attention.py sha256=Jv--daGEnqp5xNiww7PqwhVhyhJoLepEP-xa_2YOE7w 3860
signaturizer3d/unicore/softmax_dropout.py sha256=fGp5bPJe1ijzr-PXhkFp2g23iR4b6kNRaHk-bq_Wg_Y 5737
signaturizer3d/unicore/transformer_encoder.py sha256=DyuxIvqMeY96F2g8x-uf0IHT9KI-bhnEw1F1XpPXFVU 757
signaturizer3d/unicore/transformer_encoder_layer.py sha256=qnPySCZ3P4uga_uP78ND8GpAFs22XoWGadSELTuoqGM 3199
signaturizer3d/unicore/unicore_model.py sha256=tSTRivxSUcSAQQOcDAqmLFExFoAeyfV-T5y6iNk3mHc 1505
signaturizer3d/unicore/utils.py sha256=nGJ1EiEHswyp06tGRlYpVHk74vVCEtsnphQOjG_mkt4 13199
signaturizer3d/unimol/LICENSE sha256=ht-dAaTN43c9qajIleWxaZqhn_iZ4TCn0kIeJXcKNQw 1070
signaturizer3d/unimol/__init__.py sha256=GE9R2BYgRe0WimdfxNljBT36lSYOyvejslZDZZsG-bY 59
signaturizer3d/unimol/dict.txt sha256=lBNcuakZj5iN5oTLYeLDcogqO9WbgyDv-65wTDgFcSc 91
signaturizer3d/unimol/pad.py sha256=YXeRiWHkBzjLq2GD0xFToEsN5a85ajmGScvZSIH4--E 2400
signaturizer3d/unimol/transformers.py sha256=Bnzrl9HxcnwpLawjUNv6H-XNizc66p8WhZE4CB-zMcg 5192
signaturizer3d/unimol/unimol.py sha256=LVBM4y5iFDdaEWN3EHE_sj7uTuqAQarR4_lHQmJmi5Y 10553
signaturizer3d-0.1.8.dist-info/LICENSE sha256=Y2ANEqu0ffcLVOf_wZ9u_exbbJmuaVJ5Q4MMoDB72lo 1061
signaturizer3d-0.1.8.dist-info/METADATA sha256=qCEr0UwcvbwcyOFmAjOWtXZQsfVxPkr1m6o88LGD0Ug 7487
signaturizer3d-0.1.8.dist-info/WHEEL sha256=sP946D7jFCHeNz5Iq4fL4Lu-PrWrFsgfLXbbkciIZwg 88
signaturizer3d-0.1.8.dist-info/RECORD — —