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University of Michigan
- Ann Arbor, MI
- https://changwenxu98.github.io/
- in/changwenxu
- @changwen_xu98
Highlights
- Pro
Stars
Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning
Official implementation of Diffusion Graph Networks (DGNs)
This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
GRACE models and gracemaker (as implemented in TensorPotential package)
Code for the paper https://arxiv.org/abs/2402.04997
[ICLR 2025] Rectified Diffusion: Straightness Is Not Your Need
Evaluation of universal machine learning force-fields https://arxiv.org/abs/2412.10516
Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…
A PyTorch library for implementing flow matching algorithms, featuring continuous and discrete flow matching implementations. It includes practical examples for both text and image modalities.
Official implementation of Constrained Synthesis with Projected Diffusion Models (NeurIPS 2024)
EquiTriton is a project that seeks to implement high-performance kernels for commonly used building blocks in equivariant neural networks, enabling compute efficient training and inference.
MatterSim: A deep learning atomistic model across elements, temperatures and pressures.
Code for TFG: Unified Training-Free Guidance for Diffusion Models
Structural Constraint Integration in Generative Model for Discovery of Quantum Material Candidates
cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffDock, MACE, Allegro and NEQUIP, based on equivariant neural n…
Official repository for the Boltz-1 biomolecular interaction model
A programming framework for agentic AI 🤖 PyPi: autogen-agentchat Discord: https://aka.ms/autogen-discord Office Hour: https://aka.ms/autogen-officehour
AI-powered ab initio biomolecular dynamics simulation
Numerical integration in arbitrary dimensions on the GPU using PyTorch / TF / JAX
Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons
The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
Differentiable, Hardware Accelerated, Molecular Dynamics
[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations