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preview-update-submodules/featured-users/2017-06-29-machine-learning.html

@@ -810,7 +810,7 @@ <h5 class="mt-0">Protein Model</h5>
 
 <p>On the OSG, they run “small density function (DFT) calculations. We are interested in molecular properties,” says Isayev. “We run a program package called ORCA (Quantum Chemistry Program), a free chemistry package. It implements lots of QM methods for molecules and crystals. We use it and then we have our own scripts, run them on the OSG, collect the data, and then analyze the data.”</p>
 
-<p>“I am privileged to work with extremely talented people like Roman Zubatyuk,” says Isayev. Zubatyuk works with Isayev on many different projects. “Roman has developed our software ecosystem container using <a href="https://www.docker.com/what-docker">Docker</a>. These simulations run locally on our machines through the Docker virtual environment and eliminate many issues. With a central database and set of scripts, we could seamlessly run hundreds of thousands of simulations without any problems.”</p>
+<p>“I am privileged to work with extremely talented people like Roman Zubatyuk,” says Isayev. Zubatyuk works with Isayev on many different projects. “Roman has developed our software ecosystem container using Docker. These simulations run locally on our machines through the Docker virtual environment and eliminate many issues. With a central database and set of scripts, we could seamlessly run hundreds of thousands of simulations without any problems.”</p>
 
 <p>Finding new materials and molecules are hard science problems. “There is no one answer when looking for a new molecule,” says Isayev. “We cannot just use brute force. We have to be creative because it is like looking for a needle in a hay stack.”</p>