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hecc's Projects

aflow icon aflow

Python API wrapping the AFLUX API language for AFLOW library.

alignn icon alignn

Atomistic Line Graph Neural Network

ase_ani icon ase_ani

ANI-1 neural net potential with python interface (ASE)

awesome-free-chatgpt icon awesome-free-chatgpt

🆓免费的 ChatGPT 镜像网站列表,持续更新。List of free ChatGPT mirror sites, continuously updated.

cgcnn icon cgcnn

Crystal graph convolutional neural networks for predicting material properties.

changchunhe.github.io icon changchunhe.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

deeplearning-500-questions icon deeplearning-500-questions

深度学习500问,以问答形式对常用的概率知识、线性代数、机器学习、深度学习、计算机视觉等热点问题进行阐述,以帮助自己及有需要的读者。 全书分为18个章节,50余万字。由于水平有限,书中不妥之处恳请广大读者批评指正。 未完待续............ 如有意合作,联系[email protected] 版权所有,违权必究 Tan 2018.06

dscribe icon dscribe

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

enumlib icon enumlib

Derivative structure enumeration library

export_fig icon export_fig

A MATLAB toolbox for exporting publication quality figures

fuse-stable icon fuse-stable

The latest stable release for the crystal structure prediction code FUSE

gcn icon gcn

Implementation of Graph Convolutional Networks in TensorFlow

geninfi icon geninfi

Generating infinitenes, kekulenes and clarenes

ipcsp icon ipcsp

Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings

jarvis icon jarvis

Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated framework for computational science using density functional theory, classical force-field/molecular dynamics and machine-learning.

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