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Detecting Tox-Alerts inducing toxicity in molecules using Explainable AI
ML project to predict if a molecule is toxic or not
Generate Novel Molecules and Predict Their Chemical Properties by Varitional Autoencoder
This repo contains code for molecule variational auto-encoder and adversarial auto-encoder
convert molecular structure into different representations and predict IE&EA
The code is to transform molecules into features and do electron affinity(EA)/ionization energy(IE) prediction
An RNN trained on a dataset of molecular SMILES to generate novel molecules.
Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)
convert molecule images to smiles(like osra)via ImageCaption.pytorch models
Optimizing synthesis plan for molecule libraries focus on minimizing material use
Molecule generation code, related to OMG, but using a slightly different algorithm
Generate novel molecules using neural language models
3d molecule generation by GAN
MoleculeKit: Your favorite molecule manipulation kit
Multiobjective De Novo Drug Design with Recurrent Neural Networks and Nondominated Sorting
Moleculenet.ai Datasets And Splits
Molecule generation with deep learning
Common molecule fragments for visualization in Avogadro
Collection of data sets of molecules for a validation of properties inference
ML to predict solubility from chemical structure
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.