PhD researcher at KU Leuven | Deep learning & optimization for molecular property prediction.
Check this out:
https://anaconda.org/simonabuzzi
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BayesianOptimization
BayesianOptimization PublicForked from bayesian-optimization/BayesianOptimization
A Python implementation of global optimization with gaussian processes.
Python
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Clapeyron.jl
Clapeyron.jl PublicForked from ClapeyronThermo/Clapeyron.jl
Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
Julia
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