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ccsb-scripps / AutoDock-GPU

AutoDock for GPUs and other accelerators
https://ccsb.scripps.edu/autodock
GNU General Public License v2.0
400 stars 110 forks source link

Conda package! #79

Open hypnopump opened 4 years ago

hypnopump commented 4 years ago

It would be very nice to port it to a conda package like the original Autodock, Vina, Smina, and others Examples:

diogomart commented 4 years ago

Hi Eric, this is a good idea, we will consider it.

aretasg commented 3 years ago

It looks like somebody has already packaged it up - https://anaconda.org/hcc/autodock-gpu. Although the versioning looks to be wrong.

hypnopump commented 3 years ago

very nice!