Research Software Engineer in the Biomolecular Simulation Group, Scientific Computing @ STFC
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Science and Technology Facilities Council
- Daresbury Laboratory
- https://orcid.org/0009-0007-3323-753X
- in/harryswift
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CCPBioSim/CodeEntropy
CCPBioSim/CodeEntropy PublicPython package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
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CCPBioSim/SIST
CCPBioSim/SIST PublicThis repository contains the original SIST codes created by Zhabinskaya, D., Madden, S., & Benham, C. J. (2015), along with newly added features that utilise the original functions to compute addit…
C++ 2
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CCPBioSim/ccpbiosim.github.io
CCPBioSim/ccpbiosim.github.io PublicA developer facing web resource with various information and dashboards for the core ccpbiosim dev team
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