bluehope

abipy

Open-source library for analyzing the results produced by ABINIT

aisoccer-3d

ApproXD.jl

B-splines and linear approximators in multiple dimensions for Julia

bandstructureplots

Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.

blog_posts

These are the Jupyter notebook versions of my original blog posts at www.dantoudai.wordpress.com.

config

config-1

configuration

Cxx.jl

The Julia C++ Interface

FortranFiles.jl

Julia support for reading/writing Fortran unformatted files

tabby

A terminal for a more modern age (formerly Terminus)

bluehope/tabby

A terminal for a more modern age (formerly Terminus)

bluehope/aisoccer-3d

bluehope/blog_posts

These are the Jupyter notebook versions of my original blog posts at www.dantoudai.wordpress.com.

bluehope/config-1

configuration

bluehope/DataScienceInteractivePython

Python interactive dashboards for learning data science

bluehope/e3nn

A modular framework for neural networks with Euclidean symmetry

bluehope/egnn

bluehope/egnn-pytorch

Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch

bluehope/emmet

Be a master builder of databases of material properties. Avoid the Kragle.

bluehope/equiformer-pytorch

Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding

bluehope/FreeU

FreeU: Free Lunch in Diffusion U-Net

bluehope/GradDFT

GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.

bluehope/ktx-macro

ktx 취소표 예약 도구 - chrome extension

bluehope/mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

bluehope/materials_discovery

bluehope/mlipx

Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation methods alongside powerful visualization and comparison tools.

bluehope/MXMNet

Source code for our paper "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures"

bluehope/nequip

NequIP is a code for building E(3)-equivariant interatomic potentials

bluehope/nice_power_kuaiqu_python_interface

Python interface for various power supplies from Nice-Power

bluehope/NNPOps

High-performance operations for neural network potentials

bluehope/ocp

https://opencatalystproject.org/

bluehope/online-cv

Hongkee Yoon's CV page

bluehope/Samsung-AI-Challenge-for-Scientific-Discovery

🥇Samsung AI Challenge 2021 1등 솔루션입니다🥇

bluehope/se3-transformer-public

code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503

bluehope/SetupCodes

SetupDFTcodes

bluehope/SIMPLE-NN_v2

bluehope/SpookyNet

Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"

bluehope/torchdeq

Modern Fixed Point Systems using Pytorch

bluehope/torchmd-net

Neural network potentials based on graph neural networks and equivariant transformers

bluehope/vit-pytorch

Implementation of Vision Transformer, a simple way to achieve SOTA in vision classification with only a single transformer encoder, in Pytorch