MindSpore Simulation Package tOwards Next Generation molecular modelling
Cybertroncode for GNN-Based deep molecular model by MindSpore
This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5md/)
This repository contains reviewed implementations of ideas from recent artificial intelligence papers base on MindSpore.
A unsupervised learning method to generate deep reaction coordinate for transition state with momentum estimator by MindSpore
Neural netwrok in PLUMED2
The integrated tempering sampling as a bias in PLUMED2
Some modification of PLUMED2
Maincode of TALOS in PLUMED2
MindSpore is a new open source deep learning training/inference framework that could be used for mobile, edge and cloud scenarios.