Pinned Repositories
Benchmarking-general-neural-network-potential-ANI-2x-on-aerosol-nucleation-molecular-clusters
deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
FLAME
FLAME: a library for atomistic modeling environments
github-slideshow
A robot powered training repository :robot:
nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
PhysNet
Code for training PhysNet models
tensormol
test
torchmd-net
Neural network potentials based on graph neural networks and equivariant transformers
shuaijiang-ustc's Repositories
shuaijiang-ustc/tensormol
shuaijiang-ustc/Benchmarking-general-neural-network-potential-ANI-2x-on-aerosol-nucleation-molecular-clusters
shuaijiang-ustc/deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
shuaijiang-ustc/FLAME
FLAME: a library for atomistic modeling environments
shuaijiang-ustc/github-slideshow
A robot powered training repository :robot:
shuaijiang-ustc/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
shuaijiang-ustc/PhysNet
Code for training PhysNet models
shuaijiang-ustc/test
shuaijiang-ustc/torchmd-net
Neural network potentials based on graph neural networks and equivariant transformers