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bo_tutorial Public
Forked from jbmouret/bo_tutorialNotebook for the Bayesian Optimization (quick) tutorial
Jupyter Notebook UpdatedApr 7, 2021 -
mol2vec Public
Forked from samoturk/mol2vecMol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
Python BSD 3-Clause "New" or "Revised" License UpdatedNov 22, 2018 -
cclib Public
Forked from cclib/cclibParsers and algorithms for computational chemistry logfiles
Python BSD 3-Clause "New" or "Revised" License UpdatedMar 4, 2017 -
keras Public
Forked from keras-team/kerasDeep Learning library for Python. Convnets, recurrent neural networks, and more. Runs on Theano or TensorFlow.
Python Other UpdatedJan 18, 2017 -
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keras-molecules Public
Forked from maxhodak/keras-moleculesAutoencoder network for learning a continuous representation of molecular structures.
Python MIT License UpdatedOct 25, 2016 -
conda-recipes Public
Forked from salford-systems/conda-recipesbuild and test recipes for conda
C++ Other UpdatedSep 21, 2016 -
personal-jekyll-denn Public
Forked from le4ker/personal-jekyll-theme{ Personal } Jekyll theme.
HTML MIT License UpdatedJun 22, 2016 -
galvani Public
Forked from echemdata/galvaniRead proprietary file formats from electrochemical test stations
Python GNU General Public License v3.0 UpdatedDec 13, 2015 -
speck Public
Forked from wwwtyro/speckBrowser-based WebGL molecule renderer with the goal of producing figures that are as attractive as they are practical.
JavaScript The Unlicense UpdatedOct 26, 2015