After a cascade of hard drive failures, Pharmit is now fully operational with the exception of the PubChem library, which will be rebuilt after a final hardware upgrade sometime in March April.


interactive exploration of chemical space


virtual screening in your browser

start from PDB:
binding site waters:


submit your own chemical libraries

log in to manage libraries



pharmit currently has

built-in libraries containing conformations of compounds and

publicly accessible user-contributed libraries containing

conformations of compounds.


If you find this site useful please cite Pharmit: interactive exploration of chemical space.

Pharmit is funded through R01GM108340 from the National Institute of General Medical Sciences. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institute of General Medical Sciences or the National Institutes of Health.

© David Ryan Koes, Charles Yuan and the University of Pittsburgh.