torchani

Neural simulator

A PyTorch implementation of a neural network potential for molecular simulations

Accurate Neural Network Potential on PyTorch

GitHub

464 stars
30 watching
128 forks
Language: Python
last commit: 23 days ago
deep-learningforce-fieldmolecular-simulationneural-networkquantum-chemistryquantum-mechanics

Related projects:

Repository Description Stars
pasqal-io/pyqtorch A PyTorch-based simulator for quantum machine learning 45
ahmedfgad/torchga Trains PyTorch models using the Genetic Algorithm 95
kaihsin/tor10 A PyTorch-based tensor network library for quantum simulation 60
ypxie/pytorch-neucom An implementation of the Differentiable Neural Computer architecture in PyTorch 94
project-dc/pygeneses A PyTorch-based framework for training and studying artificial species in bio-inspired environments 72
achaiah/pywick A PyTorch-based neural network training framework with advanced features and utilities 398
higgsfield/interaction_network_pytorch An implementation of Interaction Networks for learning physical simulations and generalizing to novel systems 131
jingweiz/pytorch-dnc An implementation of Neural Turing Machine and Differentiable Neural Computer architectures using PyTorch and Visdom for deep learning tasks. 278
ixaxaar/pytorch-dnc An implementation of Differentiable Neural Computers and family for PyTorch, enabling scalable memory-augmented neural networks. 338
norse/norse Deep learning framework for spiking neural networks 673
dyhan0920/pyramidnet-pytorch An implementation of a deep neural network architecture for image classification tasks 273
ne7ermore/torch-light A comprehensive PyTorch-based deep learning repository with examples and implementations of various models and techniques. 535
graal-research/poutyne A PyTorch framework simplifying neural network training with automated boilerplate code and callback utilities 569
sinkingsugar/nimtorch A Nim frontend for PyTorch, generating native ATen code for machine learning and artificial neural networks 462
akanimax/pro_gan_pytorch Implementation of a deep learning model for generating high-quality images with improved stability and variation. 536