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HAT reaction plugin

Introduction

Plugin for KIMMDY to perform hydrogen atom transfer reactions. Loads a trained tensorflow model to predict energy barriers.

Installation

  • Download
  • pip install -e ./ or for development: pip install -r requirements.txt
  • Lint with black

Metadata

Release files for kimmdy-hat 1.2.0

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Source distribution (sdist)

Source distribution for kimmdy-hat 1.2.0
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kimmdy_hat-1.2.0.tar.gz 48.8 kB With provenance Details for kimmdy_hat-1.2.0.tar.gz

Built distribution (wheel)

Table of built distributions (wheels) for kimmdy-hat 1.2.0
File Interpreter ABI Platform Actions
kimmdy_hat-1.2.0-py3-none-any.whl Python 3 none any Details for kimmdy_hat-1.2.0-py3-none-any.whl

Total release size: 97.5 kB

Release files / kimmdy_hat-1.2.0.tar.gz

Download URL kimmdy_hat-1.2.0.tar.gz
Size 48.8 kB
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2223d6a7b806ef7a514387f38b39f0655df8c8d57fd22977b1ed4e5cadf92b60
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Uploaded via twine/6.1.0 CPython/3.13.7

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Release files / kimmdy_hat-1.2.0-py3-none-any.whl

Download URL kimmdy_hat-1.2.0-py3-none-any.whl
Size 48.7 kB
Tags Python 3
SHA-256 checksum
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a9d775f87097102adc54c82b78f2ea5395251d7710d8ab3fd5f8078b3fad5bf6
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47579c71c04174e5f932497d5356d56ce093849e39d04b480f497be53c26a05d
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Uploaded via twine/6.1.0 CPython/3.13.7

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Signed by GitHub Actions, verified by PyPI on Sep 4, 2025.

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Security for kimmdy-hat 1.2.0

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Signed by GitHub Actions, verified by PyPI on Sep 4, 2025.

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