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Name: Umesh Arampath
Type: User
Company: University of Iowa
Bio: Applied Mathematics and Computational Science PhD student
Location: Iowa City
Name: Umesh Arampath
Type: User
Company: University of Iowa
Bio: Applied Mathematics and Computational Science PhD student
Location: Iowa City
Antibiotic Genetic Algorithm
Distributed computing workflow for generation and analysis of large scale molecular datasets obtained running multi-source multi-fidelity quantum chemical calculations of ground-state and excited-state properties
This repos contains notebooks for the Advanced Solutions Lab: ML Immersion
CH485 - Artificial Intelligence and Chemistry
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
Autoencoder network for learning a continuous representation of molecular structures.
Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml/2019/sc/c9sc04026a
github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"
A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.
Code for deep learning models to predict molecular electronic properties.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A PyTorch implementation of DenseNet.
Python package built to ease deep learning on graph, on top of existing DL frameworks.
Predicting anti-HIV activity of chemical molecules - Python, RDKit, Scikit-learn, Keras, Tensorflow
Implementation of Firefly Algorithm in Python
Implementation of Graph Convolutional Networks in TensorFlow
Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925
Graph neural networks for molecular design.
Book about interpretable machine learning
kNN Classifier for a heart data set
An end-to-end machine learning library to directly optimize AUC loss
Lime: Explaining the predictions of any machine learning classifier
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.