XU Ximing's repositories
gpt_academic
为GPT/GLM等LLM大语言模型提供实用化交互接口,特别优化论文阅读/润色/写作体验,模块化设计,支持自定义快捷按钮&函数插件,支持Python和C++等项目剖析&自译解功能,PDF/LaTex论文翻译&总结功能,支持并行问询多种LLM模型,支持chatglm3等本地模型。接入通义千问, deepseekcoder, 讯飞星火, 文心一言, llama2, rwkv, claude2, moss等。
a3fe
Automated Adaptive Absolute alchemical Free Energy calculator
AF3viewer
iPTM, PAE, pLDDT viewer via local html for Alphafold server (AF3)
AFM-LIS
Local Interaction Score (LIS) Calculation from AlphaFold-Multimer (Enhanced Protein-Protein Interaction Discovery via AlphaFold-Multimer)
AlphaFold3
Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch
ChatMol
ChatGPT in PyMOL now!
ChatTTS
ChatTTS is a generative speech model for daily dialogue.
ChemFlow
Uncover meaningful structures of latent spaces learned by generative models with flows!
ColabDock
Code for ColabDock paper
DiffBindFR
Diffusion model based protein-ligand flexible docking method
FCN-KAN
Kolmogorov–Arnold Networks with modified activation (using fully connected network to represent the activation)
featuredock
FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer
kan-gpt
The PyTorch implementation of Generative Pre-trained Transformers (GPTs) using Kolmogorov-Arnold Networks (KANs) for language modeling
kanrl
Kolmogorov-Arnold Network for Reinforcement Leaning, initial experiments
ketcher
Web-based molecule sketcher
metis
Python-based GUI to collect Feedback of Chemist in Molecules
MolCRAFT
Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"
MRAG
Official Implementation of "Multi-Head RAG: Solving Multi-Aspect Problems with LLMs"
openfold
Trainable PyTorch reproduction of AlphaFold 2
rf_diffusion_all_atom
Public RFDiffusionAA repo
SyntheMol
Combinatorial antibiotic generation
TS_Enhanced
Enhanced Thompson Sampling
Umol
Protein-ligand structure prediction
Zamba2
PyTorch implementation of models from the Zamba2 series.