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toxsmi

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1.0.0 toxsmi-1.0.0-py3-none-any.whl

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Project: toxsmi
Version: 1.0.0
Filename: toxsmi-1.0.0-py3-none-any.whl
Download: [link]
Size: 30808
MD5: 3f105a3ddca6ea54f38a353832a2df12
SHA256: 77718e55b0e5577df3ea884a4694099c385d31f2fea4319730a122269ca12707
Uploaded: 2024-05-21 16:49:56 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: toxsmi
Version: 1.0.0
Summary: PyTorch implementation of toxicity prediction models from SMILES.
Author: Jannis Born, Greta Markert, Matteo Manica
Author-Email: jab[at]zurich.ibm.com, greta.markert[at]gmail.com, drugilsberg[at]gmail.com
Home-Page: https://github.com/PaccMann/toxsmi
Requires-Dist: paccmann-predictor
Requires-Dist: numpy (>=1.14.3)
Requires-Dist: torch
Requires-Dist: Pillow
Requires-Dist: six
Requires-Dist: scikit-learn (>=0.21.3)
Requires-Dist: brc-pytorch (>=0.1.3)
Requires-Dist: pytoda (>=1.1.2)
Requires-Dist: rdkit
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 4239 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.43.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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toxsmi/models/__init__.py sha256=SSUsxHc4N-P9ZiVh90RMsjz4obg-DLNA9MqMyzX6-_M 203
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toxsmi/models/dense.py sha256=iQJJZPiehf6xY21wPh5cqTzxIal0evB6ASbZn0pxJT0 3720
toxsmi/models/mca.py sha256=7jHpCFYdvDs2ySpRaaDw8AX5kcqeaiTEBgxls--vF6k 12646
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toxsmi/utils/__init__.py sha256=pn0_gLN3heMXHOheCb7zSUoUaUu80YtoUiOgLFbPeDw 78
toxsmi/utils/hyperparams.py sha256=otNLfGgn0dIe8fsSpB1-ZcQgB5X8SbruFMzypSckM5Q 729
toxsmi/utils/io.py sha256=SULwfw6RLlLKOgCvSEBzZX_J4eCgKKvUijlDjAtkcFI 4715
toxsmi/utils/layers.py sha256=1Rv0vsmyUTIeq8I41ADCwhr1_2JWYJxcMqlOOGd7t_I 2108
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toxsmi-1.0.0.dist-info/RECORD — —

top_level.txt

toxsmi