Codes and utilities of the active learning pipeline for screening ELPs to form ultra-stable vesicles
The repository contains codes for running free energy calculation and active learning for the high-throughput screening of ELPs that can form ultra-stable vesicles. The publication is here.
This software was created by Jianming Mao and Andrew L. Ferguson under Army Research Office (ARO) Award Number: W911NF-23-1-0050. ARO, as the Federal awarding agency, reserves a royalty-free, nonexclusive and irrevocable right to reproduce, publish, or otherwise use this software for Federal purposes, and to authorize others to do so in accordance with 2 CFR 200.315(b).