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8 search results found

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

Pycroscopy ⭐ 241

Scientific analysis of nanoscale materials imaging data

Chemotools ⭐ 24

Integrate your chemometric tools with the scikit-learn API 🧪 🤖

Interpretable Machine Learning for astronomical spectroscopy in PyTorch and JAX

Resemble ⭐ 17

resemble is an R package which implements functions dedicated to non-linear modelling of complex spectroscopy data

Predict optical properties of molecules with machine learning.

Predicting Spectra From Images ⭐ 9

Predicting galaxy spectra from images

A Minimalistic Automatic Framework for Chemometrics and Machine Learning

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1-8 of 8 search results

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