Kevin M Jablonka

Results 7 repositories owned by Kevin M Jablonka

mofdscribe

43
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7
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An ecosystem for digital reticular chemistry

pyepal

36
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4
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Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.

awesome-chemistry-datasets

206
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overview of datasets for ML in chemistry

ml_molsim

23
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Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)

moffragmentor

19
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0
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Split a MOF into its building blocks.

mofchecker

19
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4
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Basic sanity checks for MOFs.