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Molecular Structure Distance #119

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PaulWAyers opened this issue Oct 6, 2021 · 1 comment
Open

Molecular Structure Distance #119

PaulWAyers opened this issue Oct 6, 2021 · 1 comment
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@FanwangM
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enhancement New feature or request

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@PaulWAyers
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@fwmeng88 should we add a tutorial on how to compute the distance between molecular structures/isomers, along the lines of what is done in the project with @rayhe88 and @Nick6618 .
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FanwangM commented Oct 6, 2021 •
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We can definitely do this after finishing the project with @rayhe88 and @Nick6618. I think it will end up with a Jupyter notebook. Thanks for reminding this.

Let me add this as an enhancement. @PaulWAyers

@FanwangM FanwangM added the enhancement New feature or request label Oct 6, 2021
@FanwangM FanwangM self-assigned this Oct 7, 2021
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