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Workflow to clean up and fix structural problems in protein-ligand binding datasets

Jupyter Notebook 55 9 Updated May 7, 2025

An open-source script for downloading movies, TV shows, and anime from various websites.

Python 1 Updated Oct 13, 2025

💻 Notes for using Linux on Lenovo Legion.

Shell 335 15 Updated Aug 3, 2024

Driver and tools for controlling Lenovo Legion laptops in Linux including fan control and power mode.

C 2,400 73 Updated Jul 11, 2025

Fréchet ChemNet Distance: A quality measure for generative models for molecules

Python 85 27 Updated Apr 1, 2024

Package for Retrosynthetic Planning

Python 165 26 Updated Oct 13, 2025

Extracting medicinal chemistry intuition via preference machine learning

Python 112 11 Updated Oct 31, 2023

Scikit-learn compatible library for molecular fingerprints and chemoinformatics

Python 263 19 Updated Oct 8, 2025

[Support 0.49.x](Reset Cursor AI MachineID & Bypass Higher Token Limit) Cursor Ai ,自动重置机器ID , 免费升级使用Pro功能: You've reached your trial request limit. / Too many free trial accounts used on this machi…

Python 36,274 4,462 Updated Sep 16, 2025

torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inverse design and representation learning.

Python 288 37 Updated Oct 8, 2025

Soho vibes for GNOME Terminal

47 4 Updated Jul 9, 2022

This repository provides a guide to customizing the Linux terminal with a modern and visually appealing style. It includes instructions for installing necessary tools such as zsh, oh-my-zsh, pl10k,…

26 1 Updated Nov 4, 2024

Enhanced Citation Counts Manager for Zotero 7

JavaScript 199 14 Updated Jul 10, 2024

CVPR and NeurIPS poster examples and templates. May we have in-person poster session soon!

1,780 156 Updated May 9, 2023

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294

Python 593 127 Updated Jun 20, 2025

Ligand-Protein Interaction Mapping

HTML 62 9 Updated May 1, 2025
Python 3 Updated Dec 10, 2024

Write reproducible code for getting and processing ChEMBL

Jupyter Notebook 81 15 Updated Sep 14, 2025

Remake of Notion-snap

JavaScript 87 10 Updated Oct 8, 2025

An unofficial userspace driver for HID++ Logitech devices

C++ 3,854 280 Updated Sep 28, 2024

A list of summer schools on Artificial Intelligence, Machine Learning, and Healthcare

358 34 Updated Sep 29, 2025

Official repository for the Boltz biomolecular interaction models

Python 3,354 585 Updated Oct 3, 2025

Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.

Python 136 34 Updated May 21, 2025

Middleware to create RSS feeds, filter existing feeds and transform them (e.g. fulltext)

HTML 342 33 Updated Oct 13, 2025

Zotero plugin to automatically move attachments and link them

JavaScript 1,005 20 Updated Oct 5, 2025

A Zotero plugin adding text to speech (TTS) functionality to various screens

TypeScript 162 4 Updated Oct 1, 2025

List of Molecular and Material design using Generative AI and Deep Learning

877 112 Updated Oct 10, 2025
Jupyter Notebook 218 25 Updated Sep 9, 2024

AlphaFold 3 inference pipeline.

Python 7,076 958 Updated Sep 8, 2025

A simple Client/Server program to manage reagents in a laboratory.

Java 1 Updated May 12, 2015
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点击 这是indexloc提供的php浏览器服务,不要输入任何密码和下载