Chemprop Demo

By Kevin Greenman

Massachusetts Institute of Technology

Demo of the Chemprop message-passing neural network package for the Hands-on Data Science and Machine Learning Training Series

Launch Tool

You must login before you can run this tool.

Version 1.1 - published on 13 Apr 2022

doi:10.21981/ZPYJ-CF14 cite this

Open source: license | download

View All Supporting Documents

Usage

World usage

Location of all "Chemprop Demo" Users Since Its Posting

Cumulative Simulation Users

195

67 71 74 78 82 87 89 94 96 101 103 111 117 121 123 131 134 138 146 156 160 168 175 189 195

Simulation Runs

531

87 94 103 110 119 124 133 142 144 150 152 161 168 172 176 214 228 282 336 360 377 403 457 513 531
Overview
Average Total
Wall Clock Time 12.52 hours 209.76 days
CPU time 3.8 minutes 1.06 days
Interaction Time 6.3 hours 105.49 days