Stars
New repository for the Raman spectra prediction of graphene from machine learning models
Code for paper "Predicting macroscopic properties of amorphous monolayer carbon via pair correlation function"
Convert PDF to markdown + JSON quickly with high accuracy
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
An equivariant transformer for chord progression accompaniment
A repository for the final project implementing/applying Boltzmann generators for Computational Statistical Physics (PHYS 7810) at CU Boulder
Next generation machine learning force field on enzymatic catalysis
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization
PyTorch implementation of gated PixelCNN
my codes for learning attention mechanism
Genetic algorithm tutorial for Python