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robpollice.mstdn.science.ap.brid.gy
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46 days ago
#RobSelects paper of the week #angew_chem: A global optimization and structure sampling algorithm that does not rely on molecular dynamics. #compchem
https://doi.org/10.1002/anie.202500393
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galanojeanmarie.bsky.social
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45 days ago
That is a great tool, I used it everyday on top of crest
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