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Search results for neural network molecular dynamics

molecular-dynamics x

neural-network x

10 search results found

Schnetpack ⭐ 688

SchNetPack - Deep Neural Networks for Atomistic Systems

Torchmd ⭐ 465

End-To-End Molecular Dynamics (MD) Engine using PyTorch

Graphics Processing Units Molecular Dynamics

Torchmd Net ⭐ 238

Neural network potentials

Tensormol ⭐ 190

Tensorflow + Molecules = TensorMol

Mddatasetbuilder ⭐ 34

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

Atoms In Molecules Neural Network Potential

Lstm Predict Md ⭐ 30

Learning Molecular Dynamics with Simple Language Model built upon Long Short-Term Memory Neural Network

Encodermap ⭐ 24

python library for dimensionality reduction

Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)

Accelerated_sampling_with_autoencoder ⭐ 10

Accelerated sampling framework with autoencoder-based method

Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.

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1-10 of 10 search results

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