davidmcdonald1993 Goto Github PK
Name: David McDonald
Type: User
Company: AIAInsights
Bio: CTO
Location: Birmingham
Name: David McDonald
Type: User
Company: AIAInsights
Bio: CTO
Location: Birmingham
This repository contains the necessary scripts to derive off-target models through (1) A neural network framework based on Keras and Tensorflow (2)An autmomated machine learning framework based on AutoGluon
OpenANE: the first Open source framework specialized in Attributed Network Embedding (ANE)
PharML is a framework for predicting compound affinity for protein structures. It utilizes a novel Molecular-Highway Graph Neural Network (MH-GNN) architecture based on state-of-the-art techniques in deep learning. This repository contains the visualization, preprocessing, training, and inference code written in Python and C. In addition, we provide an ensemble of pre-trained models which can readily be used for quickly generating rank-ordered predictions of compound affinity relative to a given target. DISCLAIMER: Compounds predicted by PharML.Bind should not be used without consulting a doctor or pharmacist - all results should be considered unverified and used only as a starting point for further investigation. Use at your own risk!
PyTorch implementation of the NIPS-17 paper "Poincaré Embeddings for Learning Hierarchical Representations"
AI-powered Virtual Screening
Automatic synthesis of RCTs
This repo is for demonstration purposes only.
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