Test Tool for Neural Network Reactive Force Field for CHNO systems

Run molecular dynamics and Do testing using the neural network reactive force field for nitramines

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Version 1.1 - published on 16 May 2020

doi:10.21981/081F-G407 cite this

Open source: license | download

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Usage

World usage

Location of all "Test Tool for Neural Network Reactive Force Field for CHNO systems" Users Since Its Posting

Cumulative Simulation Users

7

6 7 7

Users By Organization Type
Type Users
Unidentified 5 (71.43%)
Educational - University 2 (28.57%)
Users by Country of Residence
Country Users
us UNITED STATES 2 (100%)

Simulation Runs

50

48 50 50
Overview
Average Total
Wall Clock Time 1.54 hours 1.54 days
CPU time 11.62 minutes 4.65 hours
Interaction Time 46.51 minutes 18.6 hours