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A powerful tool for creating fine-tuning datasets for LLM

JavaScript 7,303 751 Updated May 22, 2025

An iterative multi-LLM consensus framework for accurate cell type annotation in single-cell RNA-seq data

Python 513 47 Updated May 14, 2025

LLMs-from-scratch项目中文翻译

Jupyter Notebook 994 172 Updated Apr 13, 2025

仅需Python基础,从0构建大语言模型;从0逐步构建GLM4\Llama3\RWKV6, 深入理解大模型原理

Jupyter Notebook 3,069 428 Updated Aug 15, 2024

RNA sequencing analysis pipeline using STAR, RSEM, HISAT2 or Salmon with gene/isoform counts and extensive quality control.

Nextflow 1,031 760 Updated May 22, 2025

HoTS: Sequence-based prediction of binding regions and drug-target interactions.

Python 26 9 Updated Nov 6, 2022

clash-for-linux

Shell 2,643 835 Updated Dec 12, 2023

🔥 1Panel provides an intuitive web interface and MCP Server to manage websites, files, containers, databases, and LLMs on a Linux server.

Go 28,568 2,489 Updated May 23, 2025

Chemical representation learning paper in Digital Discovery

Jupyter Notebook 60 15 Updated May 22, 2024

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

Python 709 116 Updated Nov 26, 2023

ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model

Jupyter Notebook 13 7 Updated Nov 8, 2020

Using RDKIT and SciKit-Learn to analyse Herg data from Chembl

Python 7 8 Updated Nov 3, 2015

Deep Reinforcement Learning for de-novo Drug Design

Jupyter Notebook 358 138 Updated Dec 8, 2021

Prediction of LogP from SMILES datasets of chemical molecules

Jupyter Notebook 3 1 Updated Nov 25, 2023

RDKit related blog posts, notebooks, and data.

Jupyter Notebook 137 41 Updated May 22, 2025

在学习RDKit,SMLIES,SMARTS时整理的资料,RDKit-tutorials including RDKit Cookbook,The RDKit Book,and SMARTS examples.

Jupyter Notebook 4 1 Updated Feb 23, 2022

rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)

Jupyter Notebook 30 5 Updated Mar 11, 2023

Tutorials to learn how to work with the RDKit

Jupyter Notebook 285 77 Updated Mar 19, 2023

Quantitative Structure- Activity Relationship (QSAR) Prediction - Machine Learning Model

Jupyter Notebook 2 1 Updated Jun 21, 2024

😎 Awesome lists about all kinds of interesting topics

361,715 29,148 Updated May 19, 2025

《李宏毅深度学习教程》(李宏毅老师推荐👍,苹果书🍎),PDF下载地址:https://github.com/datawhalechina/leedl-tutorial/releases

Jupyter Notebook 15,142 3,025 Updated May 13, 2025

A conda-forge distribution.

Shell 7,640 405 Updated May 21, 2025

Implement a ChatGPT-like LLM in PyTorch from scratch, step by step

Jupyter Notebook 49,894 7,204 Updated Apr 20, 2025

Implementation of Alphafold 3 from Google Deepmind in Pytorch

Python 1,435 185 Updated Jan 22, 2025

Clean, Robust, and Unified PyTorch implementation of popular Deep Reinforcement Learning (DRL) algorithms (Q-learning, Duel DDQN, PER, C51, Noisy DQN, PPO, DDPG, TD3, SAC, ASL)

Python 2,521 319 Updated May 10, 2025

Generative Adversarial Network: Optimization in Targeted Design

Python 14 6 Updated Apr 12, 2022

Optimized Generative Adversarial Network with Graph Convolutional Networks for Novel Molecule Design

Jupyter Notebook 10 1 Updated Jan 2, 2024
Python 62 25 Updated Oct 11, 2022

A curated list of resources for machine learning for small-molecule drug discovery

220 28 Updated Nov 25, 2023

A tutorial on how to set up a Linux environment on a computer running Windows 10. Followed by how to install and use (bio)conda.

42 10 Updated Jun 12, 2024
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