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molgrid

Community

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

Installation

To install this package, run one of the following:

Conda
$conda install gnina::molgrid

Usage Tracking

0.5.1
1 / 8 versions selected
Downloads (Last 6 months): 0

Description

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

About

Summary

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

Last Updated

Mar 16, 2022 at 02:14

License

Apache 2.0, GNU 2

Supported Platforms

macOS-arm64
linux-64
macOS-64