License: GNU General Public License v2.0
MARS+ program has been used to demonstrate a 5-round iterative molecular design starting with methane.
The raw data regarding to this task can be found within this repository, including:
Log file for operations : marslog
Unique species in each round : mol-[1-5]gen.txt files
Statistics of operations : statistics.txt
Molecular data structure (MDS) for the generated molecules : *.enc files
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