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crest-lab
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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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SDF update II
#143
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pprcht
closed
1 year ago
pprcht
commented
2 years ago
Workaround for charge location in protonation tool
Workaround for charge location in protonation tool