Dachao Cui's Projects
3D force-directed graph component using ThreeJS/WebGL
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
Apache Airflow - A platform to programmatically author, schedule, and monitor workflows
Install alphafold on the local machine, get out of docker.
Approximate Nearest Neighbors in C++/Python optimized for memory usage and loading/saving to disk
Code for the antibody deep learning paper.
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
This repo includes ChatGPT prompt curation to use ChatGPT better.
A collection of resources and papers on Diffusion Models
A curated list of Knowledge Graph related learning materials, databases, tools and other resources
A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks. It may be biased towards my lab interest.
A 13B large language model developed by Baichuan Intelligent Technology
Local version of BEdeep models
A Knowledge Graph for Relational Learning On Biological Data
Convert coarse-grained protein structure to all-atom model
Chat with any PDF. Easily upload the PDF documents you'd like to chat with. Instant answers. Ask questions, extract information, and summarize documents with AI. Sources included.
ChatRWKV is like ChatGPT but powered by RWKV (100% RNN) language model, and open source.
Essential Cheat Sheets for deep learning and machine learning researchers https://medium.com/@kailashahirwar/essential-cheat-sheets-for-machine-learning-and-deep-learning-researchers-efb6a8ebd2e5
中文LLaMA&Alpaca大语言模型+本地CPU/GPU训练部署 (Chinese LLaMA & Alpaca LLMs)
A generative model for programmable protein design
Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch
A rule-based tunnel in Go.
Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering
Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
Let us control diffusion models!
Code release for ConvNeXt model
This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional neural network (CNN) for proteins.