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improve LBVS power via the discretization parameter #14

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UnixJunkie opened this issue Jul 19, 2016 · 1 comment
Open

improve LBVS power via the discretization parameter #14

UnixJunkie opened this issue Jul 19, 2016 · 1 comment
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@UnixJunkie
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Cf. le commentaire de CM pendant ma soutenance.

@UnixJunkie
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Since this is to take into account molecular flexibility, there is another way to do it.
Maybe cleaner: encode conformers of the same molecule into one AC vector.

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