Results 23 repositories owned by The Matter Lab

phoenics

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Phoenics: Bayesian optimization for efficient experiment planning

assessing_mol_prediction_confidence

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https://arxiv.org/abs/2102.11439

chemical_vae

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Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

ChemOS

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Computer-vision-for-the-chemistry-lab

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Use convolutional neural net to detect segment and classify material phases and vessels in chemistry lab and other setting involving materials in mostly transparent vessels

DiffiQult

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A fully autodifferentiable and variational HF

funsies

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funsies is a lightweight workflow engine 🔧

GA

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Code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space

gpHSP

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Code to build a probabilistic predictive model for HSP

gryffin

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