Python for Cheminformatics

By Jessica Nash¹; Ashley Ringer McDonald²

1. Virginia Tech 2. Cal Poly San Luis Obispo

Notebooks demonstrating an introduction to cheminformatics using Python

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Version 1.1 - published on 03 May 2024

doi:10.21981/KQ37-EN38 cite this

Open source: license | download

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Usage

World usage

Location of all "Python for Cheminformatics" Users Since Its Posting

• Monthly
• Yearly
• Cumulative

Cumulative Simulation Users

75

3 50 59 60 74 75

Simulation Runs

293 Apr 2024

6 135 211 215 283 293

Overview

	Average	Total
Wall Clock Time	1.3 days	266.38 days
CPU time	46.75 seconds	2.66 hours
Interaction Time	2.08 hours	17.75 days