xiaozhuang's starred repositories
openai-cookbook
Examples and guides for using the OpenAI API
AI-Scientist
The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery 🧑🔬
papers_for_protein_design_using_DL
List of papers about Proteins Design using Deep Learning
ydata-synthetic
Synthetic data generators for tabular and time-series data
rdkit_summary
rdkit总结与实践
DynamicBind
repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
ScaffoldGraph
ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
timeseries-generator
A library to generate synthetic time series data by easy-to-use factors and generator
LongICLBench
Code and Data for "Long-context LLMs Struggle with Long In-context Learning"
openchemlib-hyperspace
substructure search in large combinatorial spaces using openchemlib
data_for_chem
Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"
tree-diffusion-schrodinger-bridge
Tree-Based Diffusion Schrödinger Bridge with Applications to Wasserstein Barycenters
coxpresdbr
Parses and summarises data from coexpresdb.jp