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AI Agent Skills

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Resultados · “predict”

38 Skills

Resultados: 38

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Lazypredict

shankarpandala

Lazy Predict help build a lot of basic models without much code and helps understand which models works better without any parameter tuning

Precio sin confirmarDesarrolloRevisar antes de usar
3,3 milGitHub
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chem-nmr-predict

learningmatter-mit

Predict 1H NMR spectra from SMILES strings via NMRdb.org SPINUS neural network prediction and nmrsim quantum mechanical spin simulation.

Precio sin confirmarOtros skillsClaude Code
161GitHub
Otros skills

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chem-msms-predict

learningmatter-mit

Predict LC-MS/MS (MS2, tandem mass spectra) from SMILES via ICEBERG, a two-stage deep neural network. Outputs predicted m/z vs intensity spectrum, fragment ion SMILES, a…

Precio sin confirmarOtros skillsClaude Code
161GitHub
Diseño y UI

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deepchem

K-Dense-AI

Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featuriza…

Precio sin confirmarDiseño y UIClaude Code
43,5 milGitHub

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