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#states #transition #chemical #reaction #finding #algorithm #dimer

gosh-dimer

by Wenping Guo

1 unstable release

0.2.0 May 16, 2022

#951 in Science

21 downloads per month

MIT/Apache

34KB
619 lines

DIMER algorithm for finding transition states in chemical reactions

Dependencies

~12–23MB
~344K SLoC