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gnina / packages / molgrid 0.5.1

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Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows

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License: Apache 2.0, GNU 2
Home: https://gnina.github.io/libmolgrid/
98 total downloads
Last upload: 4 years and 3 months ago

Installers

osx-64 v0.5.1
osx-arm64 v0.5.1
linux-64 v0.5.1

conda install

To install this package run one of the following:
conda install gnina::molgrid

Description

Graphics Processing Unit Accelerated Molecular Gridding for Deep Learning Applications. J Sunseri, DR Koes. Journal of Chemical Information and Modeling, 2020

gnina / packages / molgrid 0.5.1 0

Installers

conda install

Description

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gnina / packages / molgrid 0.5.1

0