ifyoungnet

ADMETlab

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

ChemDes

An integrated web-based platform for molecular descriptor and fingerprint computation

Chemopy

ChemoPy: freely available python package for computational biology and chemoinformatics.

ChemSweet

A novel multi-layer prediction approach for sweetness evaluation based on systematic machine learning modeling

ChemSAR

a web-based platform to realize the online pipelining of molecular SAR modelling

Survey_AI_Drug_Discovery

BioMedR

generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.

MedGDM

The first easy-to-use tool for risk prediction of gestational diabetes mellitus

MolBERT

molgpt

NEWS

基于Django前后端分离开发-新闻管理系统

NOAEL

A pipeline for NOAEL prediction

ChemCOTar

Rational Design of Organelle-targeted Fluorescent Probes: Insights from Artificial Intelligence

crem

CReM: chemically reasonable mutations framework

DesignBODIPY

ML on BODIPY molecules

dietkit

FASMIFRA

Molecular Generation by Fast Assembly of SMILES Fragments

guacamol

Benchmarks for generative chemistry

kotori_work

Just for backing up my codes, it would be much better if contribute to you

molecule_generator

Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)

NewSystem

新闻管理

PharmPapp

Peptide Permeability Prediction: A Systematic Investigation Across Cell Lines, Structural Types, and Modifications

PyBioMed

machine learning, molecular descriptor

Reinvent

reinvent-randomized

Recurrent Neural Network using randomized SMILES strings to generate molecules

sketch-code

Keras model to generate HTML code from hand-drawn website mockups. Implements an image captioning architecture to drawn source images.

SuperAtomicCharge

Out-of-the-box Deep Learning Prediction of Atomic Partial Charges by Graph Representation and Transfer Learning

uvvisml

Predict optical properties of molecules with machine learning.