uiocompcat
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- TMC-Delta-ML Public
Code for training Δ-ML models for the prediction of transition metal complex properties.
uiocompcat/TMC-Delta-ML’s past year of commit activity - MOF-AABBA Public
Python scripts for calculating AABBA autocorrelation vectors for metalorganic frameworks.
uiocompcat/MOF-AABBA’s past year of commit activity - chromophore-moga Public
Code base for the Pareto Lighthouse Multiobjective Genetic Algorithm for the de novo design of transition metal chromophores.
uiocompcat/chromophore-moga’s past year of commit activity - HyDGL Public
Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.
uiocompcat/HyDGL’s past year of commit activity - tmcinvdes Public
Public repository for publication "Deep Generative Model for the Dual-Objective Inverse Design of Metal Complexes"
uiocompcat/tmcinvdes’s past year of commit activity
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