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3d-force-graph

3D force-directed graph component using ThreeJS/WebGL

abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

admetlab

A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.

airflow

Apache Airflow - A platform to programmatically author, schedule, and monitor workflows

alphafold

Install alphafold on the local machine, get out of docker.

annoy

Approximate Nearest Neighbors in C++/Python optimized for memory usage and loading/saving to disk

antibody_deep_learning

Code for the antibody deep learning paper.

avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

awesome-chatgpt-prompts

This repo includes ChatGPT prompt curation to use ChatGPT better.

awesome-diffusion-models

A collection of resources and papers on Diffusion Models

awesome-knowledge-graph

A curated list of Knowledge Graph related learning materials, databases, tools and other resources

awesome_bigdata_ai_drugdiscovery

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.

baichuan-13b

A 13B large language model developed by Baichuan Intelligent Technology

bedeep

Local version of BEdeep models

biokg

A Knowledge Graph for Relational Learning On Biological Data

cg2all

Convert coarse-grained protein structure to all-atom model

chatbot_llama2

chatpdf

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

ChatRWKV is like ChatGPT but powered by RWKV (100% RNN) language model, and open source.

cheatsheets-ai

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

chemformer

chinese-llama-alpaca

中文LLaMA&Alpaca大语言模型+本地CPU/GPU训练部署 (Chinese LLaMA & Alpaca LLMs)

chroma

A generative model for programmable protein design

chroma-pytorch

Implementation of Chroma, generative models of protein using DDPM and GNNs, in Pytorch

clash

A rule-based tunnel in Go.

cnn_graph

Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering

confgf

Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).

controlnet

Let us control diffusion models!

convnext

Code release for ConvNeXt model

cpi_prediction

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.