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abbreviate_journal_names_in_bib

replace full journal names in a bibtex database file into official abbreviated names, or reverse.

affine-variational-autoencoder

Affine Variational Autoencoder in Pytorch

assemble

Assemble two cells together.

bgflow

Boltzmann Generators and Normalizing Flows in PyTorch

clone_anonymous_github

clone/download repositories from https://anonymous.4open.science/

composition-conditioned-crystal-gan

Composition-Conditioned Crystal GAN pytorch code

concurrencyandparallelism

Learning scripts of concurrency and parallelism

cond-cdvae

An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]

conditional-flow-matching

TorchCFM: a Conditional Flow Matching library

crystal_dakit

Crystal Data Analysis Toolkit

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

dflow

diffcsp

dpdispatcher

generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish

dscribe

DScribe is a python package for creating machine learning descriptors for atomistic systems.

e3_diffusion_for_molecules

encoding-decoding-3d-crystals

"Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Jean Michel Sellier, Yoshua Bengio

fast-syntax-highlighting

Feature-rich syntax highlighting for ZSH

graphormer

Graphormer is a general-purpose deep learning backbone for molecular modeling.

handson-ml2

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

imatgen

image-based generative model for inverse design of solid state materials

ixsluo

My Profile

ixsluo.github.io

My Homepage

jax-flow-matching

mp-workshop

The Materials Project Workshop Curriculum

mpinterfaces

Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

pgd-vae

The source code of PGD-VAE

publication_manager

pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

pytorch-vae

A Collection of Variational Autoencoders (VAE) in PyTorch.