Akshay Subramanian

MolDQN-pytorch. A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".

molecular-vae. Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"

Imitation-Learning. Teaching MuJoCo humanoid to walk using imitation learning and DAgger

ML-for-Science. List of papers applying Machine Learning to scientific problems that were discussed in our weekly discussion sessions. Our primary focus is on materials science, molecular optimization and drug discovery.

bert-sentiment. Application of `BERT` to extract the portions of a tweet that represent a particular sentiment.

FissionNet. Jupyter Notebook

chainer. A flexible framework of neural networks for deep learning

chemprop. Message Passing Neural Networks for Molecule Property Prediction

U-Net-Pytorch. Pytorch implementation of U-Net

hse-intro-to-dl. Code for Intro to Deep Learning course by hse

uncertainty_guided_optimization. Official repository for the paper "Improving black-box optimization in VAE latent space using decoder uncertainty" (Pascal Notin, José Miguel Hernández-Lobato, Yarin Gal)