Active Learning Workflow for MPCAs

Active learning workflow for MPCAs using MD simulation tool MeltHEAS for optimized melting temperatures

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Version 1.0 - published on 05 Oct 2021

doi:10.21981/NK7E-HA16 cite this

Open source: license | download

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Usage

World usage

Location of all "Active Learning Workflow for MPCAs" Users Since Its Posting

Cumulative Simulation Users

45

6 7 10 11 14 16 17 19 20 20 21 22 22 22 23 27 27 28 29 31 32 33 33 35 37 39 39 42 44 45 45

Simulation Runs

7,830

46 56 6654 6655 6665 6697 6731 6741 6743 6743 6747 6751 6758 6758 6760 6878 7642 7714 7718 7724 7738 7746 7746 7750 7763 7773 7773 7780 7798 7828 7830
Overview
Average Total
Wall Clock Time 2.51 days 449.78 days
CPU time 73.55 days 13164.79 days
Interaction Time 6.43 hours 47.98 days