Taking huge inspiration from Folding@Home, and my teenaged fascination with SETI@Home, I threw together a prototype framework to distribute small-molecule "Docking" experiments to tackle the coronavirus epidemic.
Source code is here : https://github.com/cjmielke/quarantineAtHome
We currently have about 50 volunteers pitching in both CPU and GPU compute time, and we have already performed >100,000 docking experiments against two of the coronavirus proteins. You can see which proteins we are targetting here : https://github.com/cjmielke/quarantine-files/tree/master/rec...
Want to join the community? Windows and Mac builds are available, but you power users can jump right in with a docker image :
CPU :
sudo docker run -it -e ME=<YourUserName> cjmielke/quarantine_at_home:quarantine
GPU :
sudo nvidia-docker run -it -e ME=<YourUserName> cjmielke/quarantine_at_home:quarantinegpu
Ask me anything!
