chiang-yuan
PhD student in @astagroup at UC Berkeley and LBNL
UC Berkeley, Lawrence Berkeley National LaboratoryBerkeley
Pinned Repositories
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
mlip-arena
Fair and transparent benchmark of machine-learned interatomic potentials (MLIPs), beyond basic error metrics
CADReality
3D realtime design drawing, modification and presentation using augmented reality technology on the Unity platform.
csh4lmp
The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)
culsm
CUDA C++ code implementing GPU-accelerated Lattice Spring Model (CuLSM) simulations.
llamp
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
matbench-discovery
An evaluation framework for machine learning models simulating high-throughput materials discovery.
atomate2
atomate2 is a library of computational materials science workflows
pymatgen
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.
chiang-yuan's Repositories
chiang-yuan/llamp
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
chiang-yuan/csh4lmp
The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)
chiang-yuan/CADReality
3D realtime design drawing, modification and presentation using augmented reality technology on the Unity platform.
chiang-yuan/culsm
CUDA C++ code implementing GPU-accelerated Lattice Spring Model (CuLSM) simulations.
chiang-yuan/muse
A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning interatomic potentials
chiang-yuan/ProDAR
PyTorch implementation of Protein Dynamically Activated Residues (ProDAR) for dyamics-informed protein function prediction/annotation
chiang-yuan/OFF2Particle
Fill solid with FCC particles
chiang-yuan/Img2Particle
chiang-yuan/atomate2
atomate2 is a library of computational materials science workflows
chiang-yuan/chiang-yuan.github.io
A beautiful, simple, clean, and responsive Jekyll theme for academics
chiang-yuan/culsm-cpu
chiang-yuan/lammps
Public development project of the LAMMPS MD software package
chiang-yuan/cyclone
chiang-yuan/devops_tutorial_2023
A tutorial repository for LLNL's 2023 Data Science Summer Institute.
chiang-yuan/ElementEmbeddings
Python package to interact with high-dimensional representations of the chemical elements
chiang-yuan/fairchem
FAIR Chemistry's library of machine learning methods for chemistry
chiang-yuan/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
chiang-yuan/jobflow
jobflow is a library for writing computational workflows.
chiang-yuan/langchain
⚡ Building applications with LLMs through composability ⚡
chiang-yuan/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
chiang-yuan/matbench-discovery
An evaluation framework for machine learning models simulating high-throughput materials discovery.
chiang-yuan/matcalc
A python library for calculating materials properties
chiang-yuan/mgmol
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.
chiang-yuan/notes
chiang-yuan/plumed2
Development version of plumed 2
chiang-yuan/pymatgen
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.
chiang-yuan/quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
chiang-yuan/vasp-interactive