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Learn To Smell Simple Baseline [Score 0.39] RDKit provides a quick and convenient way to featurize molecules, called "fingerprint".

sunhwan_jo
· Over 3 years ago

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Where to start? 5 ways to learn 2 smell! We have written a notebook that explores 5 ways to attempt this challenge.

shraddhaa_mohan
· Almost 4 years ago

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Machine learnig approch with 3 diffferent vectos embedding xgboost , NearestNeighbors, and neural network with 3 different kinds of embedding

pyanishjain
· Almost 4 years ago

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Tutorial on how to build a baseline logistic regression model Basics of SMILES, data exploration and evaluating with Jaccard Index/Tanimoto Similarity Score

tomtom
· Almost 4 years ago

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Right fingerprint is all you need Using PubChem along with k-nearest neighbours and more!

lacemaker
· Almost 4 years ago

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SMILESVec package to train a fully-connected neural network Explains how to use vectors created with the SMILESVec package to train a fully-connected neural network using Tensorflow Keras

casvanboekholdt
· Almost 4 years ago

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Olfactory Explainer This is a quick guide exploring what CNNs can do with an image representation of molecules

mmi333
· Almost 4 years ago

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FastAI state of art out of box implementation FastAI state of art out of the box, along with other things like discrimative learning rate and learning rate finder

pyanishjain
· Almost 4 years ago

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