Challenges and Best Practices in the Computational Molecular Sciences
presentationposted on 03.03.2020 by Benjamin Pritchard
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An overview of the challenges facing the computational molecular sciences community, and some best practices being explored and adopted by developers within the community.
Presented at SIAM PP20 Minisymposium: Improving Productivity and Sustainability for Parallel Computing Software
S2I2: Impl: The Molecular Sciences Software Institute
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