清华主题PPT模板

清华大学学位论文Word模板。A Word thesis template for Tsinghua University.

A plugin to use Nvidia GPU in PySCF package

QUICK: A GPU-enabled ab intio quantum chemistry software package

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

InstantID: Zero-shot Identity-Preserving Generation in Seconds 🔥

🟠 A study guide to learn about Graph Neural Networks (GNNs)

Record my learning journey

Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

Repository for benchmarking graph neural networks

一个还算强大的Web思维导图。A relatively powerful web mind map.

Age of Empires II Tech Tree

🐼 准备秋招，欢迎来树上取果实

nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset

Add some modification to the source code.

A simple python script for converting the cp2k-aimd file to deepmd-kit compatable input data.