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Upgrade fpadmet

Open glesica opened this issue 3 years ago • 0 comments

The newest version of fpadmet doesn't require that input files end in .smi so we can go back to using the original file extension in the Nextflow workflow (.admet). Basically, we can remove the mv command in that stage once we've upgraded.

glesica avatar Jun 06 '22 22:06 glesica