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drugai

Generation and Classification of Drug Like molecule usings Neural Networks

drugdisco

A high throughput automated drug discovery pipeline.

drugex

De Novo Design of Drug Molecule by Pareto-based Multi-Objective Reinforcement Learning in Polypharmacology

drugs

old source of https://drugs.olc.tw

drugvqa

Predicting Drug Protein Interaction using Quasi-Visual Question Answering System

drvae

Drug Response Variational Autoencoder

dtinet

A Network Integration Approach for Drug-Target Interaction Prediction

e3nn

A modular framework for neural networks with Euclidean symmetry

eigenfold

EigenFold: Generative Protein Structure Prediction with Diffusion Models

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

fastjtnnpy3

AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

flash-attention

Fast and memory-efficient exact attention

foldingdiff

Diffusion models of protein structure; trigonometry and attention are all you need!

gblastn

G-BLASTN is a GPU-accelerated nucleotide alignment tool based on the widely used NCBI-BLAST.

geodiff

Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).

ggseqlogo

Publication-quality sequence logos in R

github

:octocat: Git and GitHub integration for Atom

google-research

Google Research

google_patent_scraper

A python module to scrape patents from 'https://patents.google.com/'.

graph-neural-networks-for-drug-discovery

graph_level_drug_discovery

graphdta

GraphDTA: Predicting drug-target binding affinity with graph neural networks

h-blast

heterogeneous BLAST (H-BLAST), a fast parallel search tool for a heterogeneous computer that couples CPUs and GPUs, to accelerate BLASTX and BLASTP – basic tools of NCBI-BLAST.

haddock-antibody-antigen

The repository contains material to run the HADDOCK antibody-antigen modelling protocol

hellodjango-blog-tutorial

免费带你学 django 全栈！基于 django 2.2 的个人博客，初学者绝对不能错过的 django 教程！｡◕ᴗ◕｡

imagebind

ImageBind One Embedding Space to Bind Them All

instagan_captioner

A CNN/DCGAN Encoder ---> RNN Decoder model for captioning instagram food photos

internlm

InternLM has open-sourced a 7 billion parameter base model, a chat model tailored for practical scenarios and the training system.

javascript-obfuscator

A powerful obfuscator for JavaScript and Node.js

keras-molecules

Autoencoder network for learning a continuous representation of molecular structures.