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Yuxiang Chen's Projects

crystalformer icon crystalformer

Space Group Informed Transformer for Crystalline Materials Generation

dflow icon dflow

Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.

dmff icon dmff

DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.

dpgen2 icon dpgen2

2nd generation of the Deep Potential GENerator

nri-md icon nri-md

Neural relational inference for molecular dynamics simulations

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