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