Computational chemist researching both large-scale reaction networking for extended-timescale materials degradation, and targeted generative molecular design.
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University of Warwick
- Coventry, UK
- in/joe-gilkes
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Kinetica-jl/Kinetica.jl
Kinetica-jl/Kinetica.jl PublicAutomated chemical reaction networking with long-timescale kinetic simulations in Julia
Julia 5
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Kinetica-jl/KineticaKPM.jl
Kinetica-jl/KineticaKPM.jl PublicKinetica.jl extension package for KPM calculator
Julia
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KineticPredictorModel
KineticPredictorModel PublicForked from idilismail/KineticPredictorModel
📈Ea Prediction using molecular structure and energy
Python
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OBCanonicalRadicals
OBCanonicalRadicals PublicPython package for canonically resolving OpenBabel's approach to radical detection
Python
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