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Challenges and Best Practices in the Computational Molecular Sciences

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presentation
posted on 03.03.2020 by Benjamin Pritchard
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

Funding

S2I2: Impl: The Molecular Sciences Software Institute

Directorate for Computer & Information Science & Engineering

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