Multi agent system for drug discovery tasks

unimol_tools: a easy-use & auto-ml molecule property prediction tool

Muiti-Agent Framework for Perovskite Solar Cell' Hole Selective layer design

Code implementation of DeepRare (Nature 2026)

CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction

主要记录大语言大模型（LLMs） 算法（应用）工程师相关的知识及面试题

Materials Science Understanding Large Language Model

🔥 LeetCode for PyTorch — practice implementing softmax, attention, GPT-2 and more from scratch with instant auto-grading. Jupyter-based, self-hosted or try online.

📚 《从零开始构建智能体》——从零开始的智能体原理与实践教程

an efficient distributed PyTorch framework

An all-in-one enhancement suite for Google Gemini & AI Studio - timeline navigation, folder management, prompt library, and chat export in one powerful extension. / Google Gemini & AI Studio 全能增强插件…

Material Science Aware Language Model

A PyTorch implementation of Uni-Mol3.

[Nature npj Computational Materials] This is the official code for the paper “Virtual Characterization via Knowledge-Enhanced Representation Learning: from Organic Conjugated Molecules to Devices”

Code for ALBEF: a new vision-language pre-training method