A deep learning package for many-body potential energy representation and molecular dynamics

An evaluation framework for machine learning models simulating high-throughput materials discovery.

NequIP is a code for building E(3)-equivariant interatomic potentials

DeePMD-kit plugin for various graph neural network models

Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.

Argument processing for the deep modeling project.

an efficient distributed PyTorch framework

A GUI based on napari for counting cells automatically in cell migration experiments

DeepModeling community content

Workflow which using dflow for DeePKS + ABACUS iteration

Reinforced dynamics

combing dflow and gaussian 16 to calculate s0, s1 and t1 state for oled molecule

Dflow OP to properly integrate multiple calculators.

free realtime translate tool

支持远程办公的中国公司

The deep potential generator

ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.

a web proxy tool

A list of papers for machine learning, reinforcement learning, NLP or something interesting

Google AI Research

pytorch handbook是一本开源的书籍，目标是帮助那些希望和使用PyTorch进行深度学习开发和研究的朋友快速入门，其中包含的Pytorch教程全部通过测试保证可以成功运行