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crest-lab / crest

CREST - A program for the automated exploration of low-energy molecular chemical space.
https://crest-lab.github.io/crest-docs/
GNU Lesser General Public License v3.0
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Using the 3.0dev version #217

Closed moabe84 closed 10 months ago

moabe84 commented 10 months ago

Hi Philipp, I'm planning to run extensive conformational search calculations for a data set containing a few thousands structures. To avoid the "virtual memory" issue (posted here), I'm going to use the 3.0dev version. You mentioned that "this is a preliminary version". Do you think it would fine to use it for such amount of calculations?

Another question: according to the CREST license, it's free for all users. I'm working at a biotech company. Just wanted to double-check and make sure that it's free for us and I can use it for our projects and publish the results.

Thanks, Mostafa

pprcht commented 10 months ago

Yes. The preliminary stuff mostly concerns newer implementations that are not yet the default. The GC part is one exception.

The project is open-source under the LGPL-3.0 license, you can use it and modify the software as you like.

moabe84 commented 10 months ago

Great. Thank you.