RegFGW

Discovery and recovery of crystalline materials with property-conditioned transformers

Local Environment-based Atomic Features

Benchmark of crystal structure prediction algorithms

Transfer learning repo

a Pytorch implementation of diffusion models

A Large Language Model of the CIF format for Crystal Structure Generation

A Large Language Model of the CIF format for Crystal Structure Generation

The simplest, fastest repository for training/finetuning medium-sized GPTs.

A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

Band alignment plotting tool

Original implementation of CSPML

An example of the quantum harmonic oscillator for the Advanced Nanocomposites course

A repository of code associated with the publication _Interpretable, calibrated neural networks for analysis and understanding of neutron spectra_

A (nearly) no-CSS, fast, minimalist Jekyll theme.

Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-channel spectrophotometer, a microcontroller, and an adaptive…

Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary

Deep learning of ptychographic imaging

Neural network nested and MCMC sampling