Yuan (Cyrus) Chiang
chiang-yuan
PhD resident @google @theteamatx | PhD student @astagroup at UC Berkeley and LBNL
Languages
Repos
37
Stars
137
Forks
28
Top Language
Python
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Top Repositories
[EMNLP '25] A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai https://aclanthology.org/2025.emnlp-main.1280/
The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)
3D realtime design drawing, modification and presentation using augmented reality technology on the Unity platform.
A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning interatomic potentials
PyTorch implementation of Protein Dynamically Activated Residues (ProDAR) for dyamics-informed protein function prediction/annotation
Repositories
37[EMNLP '25] A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai https://aclanthology.org/2025.emnlp-main.1280/
No description provided.
A beautiful, simple, clean, and responsive Jekyll theme for academics
No description provided.
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The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)
MACE foundation models (MP, OMAT, Matpes)
A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning interatomic potentials
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
No description provided.
NequIP is a code for building E(3)-equivariant interatomic potentials
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
No description provided.
FAIR Chemistry's library of machine learning methods for chemistry
3D realtime design drawing, modification and presentation using augmented reality technology on the Unity platform.
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
A workflow for reproducible and open scientific articles
PyTorch implementation of Protein Dynamically Activated Residues (ProDAR) for dyamics-informed protein function prediction/annotation
A molecular simulation package integrating MLFFs in MOFs for DAC
atomate2 is a library of computational materials science workflows
Python package to interact with high-dimensional representations of the chemical elements
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
A tutorial repository for LLNL's 2023 Data Science Summer Institute.
MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calculations and molecular dynamics simulations of atomistic systems.
jobflow is a library for writing computational workflows.
Development version of plumed 2
No description provided.
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A python library for calculating materials properties
An evaluation framework for machine learning models simulating high-throughput materials discovery.