for the discovery part of the pharma industry, open source version of pipeline pilot<p><a href="http:&#x2F;&#x2F;accelrys.com&#x2F;products&#x2F;collaborative-science&#x2F;biovia-pipeline-pilot&#x2F;component-collections&#x2F;chemistry.html" rel="nofollow">http:&#x2F;&#x2F;accelrys.com&#x2F;products&#x2F;collaborative-science&#x2F;biovia-pi...</a><p>We already had Knime, but that is Java-based and I believe it only has a desktop interface ( <a href="http:&#x2F;&#x2F;tech.knime.org&#x2F;getting-started" rel="nofollow">http:&#x2F;&#x2F;tech.knime.org&#x2F;getting-started</a> )