🐛
Chasing bugs
Full time alchemist & PhD student @michellab - Developing FEP protocols for drug discovery.
- Edinburgh
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02:25
(UTC) - https://orcid.org/0000-0002-4579-070X
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OpenBioSim/somd2
OpenBioSim/somd2 PublicSOMD2: GPU accelerated free-energy perturbation engine
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OpenBioSim/biosimspace
OpenBioSim/biosimspace PublicAn interoperable Python framework for biomolecular simulation.
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OpenBioSim/biosimspace_tutorials
OpenBioSim/biosimspace_tutorials PublicA tutorials suite for BioSimSpace.
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