Add code for combining new Linkers and with existing Nodes

globus-labs / mof-generation-at-scale

Create new MOFs by combining generative AI and simulation on HPC

MIT License

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Closed WardLT closed 11 months ago

WardLT commented 1 year ago

Start building the code to go from "generated linkers" to the MOFs which we will simulate

williamyxl commented 12 months ago

mof_assembly_code branch is added. Using xyz files and cif files for I/O operations for now, will change to MOF records in the next update.

WardLT commented 11 months ago

Done in #36