Chemistream is a framework for managing complex HPC materials simulation workflows on various hardware platforms, including cloud computing. The philosophy of Chemistream is to provide streamlined access to HPC cloud resources to run specific, complex industry workflows for small- and medium-sized industries.
Computation plays an essential role in materials science, engineering, nanotechnology, pharmaceutical research, and many other research fields. Faster time to market, increased return on investment and enabling new products are common reasons that computation is used in product development. However, surveys have shown that moderate-sized companies are only slowly adopting materials simulations and taking advantage of these potential increases in innovation and productivity.
Improving the adoption of computational chemistry software is addressed by developing a framework to help streamline complex simulation workflows involving one or more of the following computational methods: molecular dynamics, quantum chemistry/electronic-structure, molecular docking, kinetic Monte-Carlo, artificial intelligence (AI), machine learning (ML) and others. Read the Chemistream documentation for more details.
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