DanChai22

hessian-spectrum

Code for the paper: Why Transformers Need Adam: A Hessian Perspective

deepqmc

Deep learning quantum Monte Carlo for electrons in real space

KFAC-Pytorch

Pytorch implementation of KFAC and E-KFAC (Natural Gradient).

openlam

MinSR

Empowering deep neural quantum states through efficient optimization

hydrogen-benchmark-PRX

hydrogen-benchmark-PRX

mpi4jax

Zero-copy MPI communication of JAX arrays, for turbo-charged HPC applications in Python :zap:

XLB

XLB: Accelerated Lattice Boltzmann (XLB) based on JAX for Physics-based ML

LLM101n

LLM101n: Let's build a Storyteller

lorentz-gatr

arxiv-latex-cleaner

arXiv LaTeX Cleaner: Easily clean the LaTeX code of your paper to submit to arXiv

e3nn-jax

jax library for E3 Equivariant Neural Networks

jax-flow

Flow-matching algorithms in JAX

triton

Development repository for the Triton language and compiler

jax

Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

ML-Papers-of-the-Week

🔥Highlighting the top ML papers every week.

Awesome-Crystal-GNNs

This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials

papers-for-molecular-design-using-DL

List of molecular design using Generative AI and Deep Learning

Conductance_Kwant

Calculation of conductance of 1D nanowire using Kwant

LocationSimulator

MacOS application to spoof / fake / mock your iOS / iPadOS or iPhoneSimulator device location. WatchOS and TvOS are partially supported.

RydbergGPT

Our LLM for Rydberg atom physics

eqnn-jax

Annotated implementations of equivariant graph neural networks in Jax: EGNN, SEGNN, NequIP.

sacc_beijingcloud

python-sscha

The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).

jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

tiktoken

tiktoken is a fast BPE tokeniser for use with OpenAI's models.

pyqmc

Python library for real space quantum Monte Carlo

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.

LieConv