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alex wade from ucl will present about the portability and scalability of md codes oh alex 15 million circuits thanks uh morning everyone iamp;#39;m alex and iamp;#39;m going to talk about some of the work weamp;#39;ve been doing in peteramp;#39;s group on finding affinity calculations uh specifically talking about the scalability of these calculations to large resources and some of the strategies we have for the portability of these methods and then maybe some of the future ideas that we could implement with new standards like one api and things like this before i get into any specifics i will just give some high-level overview of what a binding free energy is and why weamp;#39;re interested in calculating it so in drug design we might be interested in finding a small molecule which binds non-covalently to a protein and this protein would be involved in the mechanism of action of some disease and then by binding to it we can inhibit its action so an oversimplification is that this