BAGIM is an active community of Boston area scientists bringing together people from diverse fields of modeling and informatics to impact life and health sciences. BAGIM strives to create a forum for great scientific discussions covering a wide range of topics including data management, visualization, computational chemistry, drug discovery, protein structure, molecular modeling, structure-based drug design, data mining, software tools, and the sharing of goals and experiences. Our community is made up of participants from academia, government, and industry whose goal is to engage in the discussion of science involving a synthesis of theory and technology. Discussions sponsored by BAGIM are targeted to the needs and interests of informatics scientists, computational chemists, medicinal chemists, and statisticians. BAGIM also provides opportunities for networking within these disciplines as well as an arena for the dissemination of information of specific interest to the membership.

Friday, May 1, 2020

DE Shaw Simulation Data and Github link- COVID19 Panel

Dear BAGIM Community,
Last night, we held our first-ever virtual event. Panelist, Michael LeVine, from DE Shaw Research, has forwarded links to access their simulation data, Github, and information to access Anton2.

Our simulation data and software can be found here:
Our Github, which includes our software msys, viparr, and our force fields, is here:
Information for getting access to the Anton2 machine at the Pittsburgh Supercomputing Center can be found here:
If there are any questions, please email us at sarscov2@DEShawResearch.com!
Thanks again everyone!