Calculating the "Clash Metric" as Described in Your Paper

igashov / DiffLinker

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

MIT License

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Calculating the "Clash Metric" as Described in Your Paper #12

Open HShokaku opened 6 months ago

HShokaku commented 6 months ago

Hi,

Thanks for your amazing work!

I am particularly interested in the metric of "steric clashes" as described in your paper

I am attempting to implement this metric in my project, but I did not find specific code in your repository for calculating this metric. Could you please provide it, or guide me on how to implement it?

Thank you for your time and consideration!

@igashov