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About

Quarantine@Home is a project that lets you donate your spare computer power to finding drugs to target the coronavirus! We leverage the power of the Autodock suite of tools to perform small molecule screening against viral proteins. Possible drugs are sourced from the Zinc Database hosted at the University of California San Francisco

Developers can access the  source code here



Join the Quaranteam!

Donate your computer power to find drugs to fight COVID-19
  • The Windows version is working well -  Download Installer
  • The Mac OSX port is still in alpha. Let us know if it doesn't work for you! -  Download DMG
Linux

Fetch code

git clone https://github.com/cjmielke/quarantineAtHome && cd quarantineAtHome

With and Nvidia GPU (requires nvidia-docker2)

sudo docker build -t quarantinegpu -f Dockerfile.gpu . && sudo nvidia-docker run -it -e ME=anonymous quarantinegpu

CPU only (slower)

sudo docker build -t quarantine -f Dockerfile . && sudo docker run -it -e ME=anonymous quarantine

Best hits across all models

JobID Username Ligand Receptor Binding Energy
861469 GLadi ZINC000034707519 spike-2 -14.82 Results
313807 bonzo_eh ZINC000097971919 spike-1 -14.8 Results
320482 ZINC000097971919 spike-2 -14.6 Results
512354 allgrit ZINC000070455322 spike-2 -14.6 Results
313828 bonzo_eh ZINC000097971919 spike-2 -14.56 Results
512226 allgrit ZINC000100822590 spike-2 -14.55 Results
835594 DrStrabismus ZINC000004726368 spike-2 -14.36 Results
833961 DrStrabismus ZINC000104378692 mpro-1 -14.26 Results
834361 DrStrabismus ZINC000104378687 mpro-1 -13.99 Results
778087 DrStrabismus ZINC000217355510 mpro-1 -13.86 Results
402232 Alcedema ZINC000000607986 spike-2 -13.84 Results
291934 ersatzBoffin ZINC000097971919 spike-1 -13.83 Results
318292 ersatzBoffin ZINC000085531172 spike-2 -13.78 Results
780056 GreedyBinder ZINC000067604456 spike-2 -13.72 Results
865978 MorePower ZINC000257349820 spike-2 -13.67 Results
778620 LELE1964 ZINC000217355510 mpro-1 -13.55 Results
780195 GreedyBinder ZINC000067604453 spike-2 -13.55 Results
412708 sodak2hou ZINC000003927822 spike-2 -13.47 Results
1184193 bonzo_eh ZINC000104378690 spike-2 -13.45 Results
481797 poweredge ZINC000256418832 spike-2 -13.43 Results
834457 DrStrabismus ZINC000104378687 spike-2 -13.41 Results
861122 GLadi ZINC000034707519 mpro-1 -13.41 Results
323369 cosmoPoweredge ZINC000252679294 spike-2 -13.37 Results
866811 MorePower ZINC000118925181 spike-2 -13.37 Results
774503 MrBozo ZINC000252694702 spike-2 -13.34 Results
307497 bonzo_eh ZINC000079189935 spike-2 -13.32 Results
404694 sodak2hou ZINC000242437511 mpro-1 -13.25 Results
376943 Alcedema ZINC000005844788 spike-2 -13.23 Results
259153 revcbh ZINC000408824779 spike-1 -13.21 Results
307924 biocurious ZINC000097971919 mpro-1 -13.2 Results
377148 poweredge ZINC000000607986 spike-2 -13.18 Results
834166 DrStrabismus ZINC000104378690 mpro-1 -13.17 Results
448359 ersatzBoffin ZINC000100822831 spike-2 -13.15 Results
1184100 bonzo_eh ZINC000104378692 mpro-1 -13.15 Results
866778 MorePower ZINC000118925178 spike-2 -13.13 Results
431697 CNDSCN ZINC000008552023 mpro-1 -13.09 Results
834063 DrStrabismus ZINC000104378692 spike-2 -13.09 Results
777968 DrStrabismus ZINC000217355436 mpro-1 -13.08 Results
326674 cosmoPoweredge ZINC000253501546 spike-2 -13.06 Results
446230 skoogPC ZINC000247853265 spike-2 -13.06 Results
397162 revcbh ZINC000003831151 spike-2 -13.04 Results
774458 MrBozo ZINC000252694702 mpro-1 -13.01 Results
323763 cosmoPoweredge ZINC000252679296 spike-2 -13.0 Results
450986 SethR@Parallax ZINC000100822590 spike-2 -12.99 Results
463911 skoogPC ZINC000008214690 spike-2 -12.96 Results
835176 DrStrabismus ZINC000004726368 mpro-1 -12.96 Results
469633 ersatzBoffin ZINC000003914813 spike-2 -12.94 Results
1233167 DrStrabismus ZINC000004726368 spike-2 -12.94 Results
313644 biocurious ZINC000217456879 spike-2 -12.93 Results
309626 biocurious ZINC000085532205 spike-2 -12.91 Results