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Wenjie Yan's Projects

equiformer icon equiformer

[ICLR'23 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

mlnetdemo icon mlnetdemo

Pytorch based Neural Network code for Molecular Machine Learning task. This project is mainly a merge of two projects one can also find at github.com, sPhysNet and torch_gauge.

ocp icon ocp

https://opencatalystproject.org/

pyscf icon pyscf

Python module for quantum chemistry, forked by wjyan on 2023/03/07.

pyscf-forge icon pyscf-forge

pyscf-forge is a collection of extensions for pyscf

torch-gauge icon torch-gauge

A light-weight PyTorch extension for equivariant deep learning

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