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Search results for neural chemistry

11 search results found

Tensormol ⭐ 190

Tensorflow + Molecules = TensorMol

n2p2 - A Neural Network Potential Package

Ch485 Artificial Intelligence And Chemistry ⭐ 55

CH485 - Artificial Intelligence and Chemistry

Mddatasetbuilder ⭐ 34

A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.

Graph Neural Networks ⭐ 33

Graph Neural Networks for Quantum Chemistry

Atoms In Molecules Neural Network Potential

Kaggle Champs Scalar Coupling ⭐ 20

19th place solution in "Predicting Molecular Properties"

Chemixnet ⭐ 16

Mixed DNN Architectures for Predicting Properties using Multiple Molecular Representations

Ch485 Artificial Intelligence And Chemistry ⭐ 7

CH485 - Artificial Intelligence and Chemistry

Easy-to-use python module for training multi-layer perceptrons (neural networks) from molecular SMILES and known associated properties

k-Bags Convolutional Neural Network

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1-11 of 11 search results

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