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try rdkit's ETKDG #8

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UnixJunkie opened this issue Oct 17, 2018 · 1 comment
Open

try rdkit's ETKDG #8

UnixJunkie opened this issue Oct 17, 2018 · 1 comment

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@UnixJunkie
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would allow to throw away the FF optimization pass, if I understand well

@UnixJunkie
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but throwing it away will be left as a special option, off by default

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