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ACS Division of Computers in Chemistry - A unit of the American Chemical Society. Includes newsletters, programs of past and future division meetings, and information on awards presented by the division.
AIChE Computational Molecular Science and Engineering Forum - A unit of the American Institute of Chemical Engineers. Includes a listing of academic researchers and information on conferences sponsored or co-sponsored by the forum.
Molecular Modeling Group (RSC) - One of the Specialist Interest Groups of the Royal Society of Chemistry. Links to research groups, meeting reports, software archives, selected articles.
The QSAR and Modelling Society - The International QSAR Society. Multivariate statistical modelling, molecular modelling, and computer-aided drug design.
UKCP - United Kingdom Car-Parrinello Consortium - Association of research groups collaborating on the first-principles computer simulation of condensed matter. Provides the CASTEP code to academics in the UK. Organization, publications, calendar, jobs, and support.