Thanks to a generous gift from Relay Therapeutics, the Pharmit backend has been upgraded to modern hardware with twice the capacity.
Note that public user-contributed libraries have been reset as many were subsets of the provided libraries (e.g. ZINC and MCULE).
Please contact if there is a library you want rebuilt or you notice problems.


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 and a generous gift from Relay Therapeutics. 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, the National Institutes of Health, or Relay Therapeutics.

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