Collaborations between Core Partners and SMEs Sample Clauses

Collaborations between Core Partners and SMEs. 7.4.1 UCL and EnsembleMD The company EnsembleMD has been created as a spin out at UCL, with the goal of exploiting tools to automate molecular simulations for use in the pharmaceutical industry. Under the umbrella of the CompBioMed project EnsembleMD has developed the BAC Pro software which provides a cloud interface allowing the execution of drug binding strength simulations on a variety of cloud platforms. Initial pilot projects, run since July 2017, have involved retrospective analyses conducted in collaboration with project partner Xxxxxxx, as well as GlaxoSmithKline and Pfizer. These exploratory projects were facilitated by business development contacts with associate partners and cloud providers Microsoft Azure and DNAnexus. Work has begun to adapt our existing workflows to employ container formats that allow them to be executed in both cloud and HPC environments (primarily Singularity). Since EnsembleMD has become an Associate Partner, this work has been supported by EPCC and SURFsara. In response to feedback, both from the pilot project conducted with Xxxxxxx and interactions with SMEs in the molecular modelling and machine learning sectors, they are re-engineering their pipelines. The goal is to allow clients more fine-grained control of simulation execution and to make better use of preemptible VMs in the cloud. This work is forming the basis of tendering for fully commercial projects.
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Related to Collaborations between Core Partners and SMEs

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