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A simple pip-installable Python tool to generate your own HTML citation world map from your Google Scholar ID.

Python 644 59 Updated Dec 15, 2025

使用 NextJS + Notion API 实现的,支持多种部署方案的静态博客,无需服务器、零门槛搭建网站,为Notion和所有创作者设计。 (A static blog built with NextJS and Notion API, supporting multiple deployment options. No server required, zero threshold t…

JavaScript 10,813 14,046 Updated Dec 16, 2025

chemalot: a command-line cheminformatics open-source package

Java 38 6 Updated Jun 4, 2023

A package to identify matched molecular pairs and use them to predict property changes.

Python 263 68 Updated May 20, 2025

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

Python 641 186 Updated Nov 28, 2025

A GPT-4 AI Tutor Prompt for customizable personalized learning experiences.

29,680 3,367 Updated Sep 30, 2025

A simple and elegant Jekyll theme for an academic personal homepage

CSS 916 809 Updated Nov 12, 2025

Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic models (ecGEMs) reconstruction

Python 175 60 Updated Jul 4, 2023

LillyMol Public Code

C++ 126 43 Updated Aug 28, 2025

Use ChatGPT to summarize the arXiv papers. 全流程加速科研,利用chatgpt进行论文全文总结+专业翻译+润色+审稿+审稿回复

Python 19,168 1,954 Updated Nov 19, 2025

pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.

Python 30 6 Updated Jul 12, 2023

Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

Python 276 46 Updated Feb 10, 2024

Awesome papers related to generative molecular modeling and design.

335 36 Updated Jul 20, 2025

Interactive roadmaps, guides and other educational content to help developers grow in their careers.

TypeScript 345,813 43,533 Updated Dec 19, 2025

实现一个操作系统内核

C 1,898 319 Updated Mar 4, 2023

The repository provides code for running inference with the SegmentAnything Model (SAM), links for downloading the trained model checkpoints, and example notebooks that show how to use the model.

Jupyter Notebook 52,966 6,181 Updated Sep 18, 2024

A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).

145 28 Updated Sep 23, 2025

计算机自学指南

HTML 70,165 7,788 Updated Nov 28, 2025

Auto3D generates low-energy conformers from SMILES/SDF

Python 182 39 Updated May 22, 2025
Python 36 39 Updated Nov 11, 2025

Productive, portable, and performant GPU programming in Python.

C++ 27,814 2,374 Updated Oct 6, 2025

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Python 6,413 1,971 Updated Dec 19, 2025

Machine Learning Yearning (full pdf)

53 17 Updated Nov 19, 2018

Python tutorials and examples

Jupyter Notebook 127 119 Updated Jun 7, 2023

Slides, paper notes, class notes, blog posts, and research on ML 📉, statistics 📊, and AI 🤖.

HTML 604 106 Updated Nov 24, 2025

Incredibly fast crawler designed for OSINT.

Python 12,462 1,653 Updated Dec 19, 2025

中国科大网络资源汇总

339 43 Updated Apr 14, 2022