Python for Cheminformatics

By Jessica Nash¹; Ashley Ringer McDonald²

1. Virginia Tech University 2. Cal Poly San Luis Obispo

Notebooks demonstrating an introduction to cheminformatics using Python

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Version 1.0 - published on 22 Nov 2023

doi:10.21981/6CFF-CF11 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

73

3 50 59 60 73

Simulation Runs

279 Mar 2024

6 135 211 215 279

Overview

	Average	Total
Wall Clock Time	1.33 days	263.65 days
CPU time	41.02 seconds	2.26 hours
Interaction Time	2.02 hours	16.67 days