Lists (2)
Starred repositories
AG2 (formerly AutoGen): The Open-Source AgentOS.Join us at: https://discord.gg/sNGSwQME3x
Biomni: a general-purpose biomedical AI agent
✅（已完结）超级全面的 深度学习 笔记【土堆 Pytorch】【李沐 动手学深度学习】【吴恩达 深度学习】【大飞 大模型Agent】
GatorAffinity: Boosting Protein-Ligand Binding Affinity Prediction with Large-Scale Synthetic Structural Data
Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models
[🔥updating ...] AI 自动量化交易机器人(完全本地部署) AI-powered Quantitative Investment Research Platform. 📃 online docs: https://ufund-me.github.io/Qbot ✨ :news: qbot-mini: https://github.com/Charmve/iQuant
FAPLM: A Drop-in Efficient Pytorch Implementation of Protein Language Models
A complete roadmap to become an AI/LLM Engineer in 2026. Free & paid courses, 5 portfolio projects, interview prep, and resources. For software engineers with Python & ML basics who want to break i…
Learn it. Build it. Ship it for others.
Scalable, Portable and Distributed Gradient Boosting (GBDT, GBRT or GBM) Library, for Python, R, Java, Scala, C and more. Runs on single machine, Hadoop, Spark, Dask, Flink and DataFlow
Physicochemical properties, indices and descriptors for amino-acid sequences.
PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
ChemCharts is a module that allows you to plot chemical space in various figure types
Benchmarking tools and analysis scripts for processing and evaluating structural data from the OpenBind EV-A71 2A dataset
A benchmark dataset for protein-ligand co-folding prediction
Complementary codes for 'A Comprehensive Dataset of Chemical Reactions Covering Second and Third Row Elements with Million-Scale Quantum Chemical Calculations.'
moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space
Claude AI plugin for PyMOL to control PyMOL with plain English
Tools to add restraints to FEP runs. Includes a workflow to determine reference structures and restraint widths from plain MD simulations.
The public versio