aerinko082's repositories
alphafold
Open source code for AlphaFold.
chemprop
Message Passing Neural Networks for Molecule Property Prediction
FastFold
Optimizing Protein Structure Prediction Model Training and Inference on GPU Clusters
teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
askcos-deploy
Deployment scripts and utilities for the ASKCOS web application
askcos-site
Web application for the ASKCOS platform for prediction of chemical reactivity
askcos-core
Python package for the ASKCOS platform for prediction of chemical reactivity
HoTS
HoTS: Sequence-based prediction of binding regions and drug-target interactions.
deep-learning-v2-pytorch
Projects and exercises for the latest Deep Learning ND program https://www.udacity.com/course/deep-learning-nanodegree--nd101
ASKCOS
Software package for computer aided synthesis planning
ADMETlab
A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
REINVENT
Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
aerinko082.github.io
✨ Build a beautiful and simple website in literally minutes. Demo at https://beautifuljekyll.com