Code for Nature energy manuscript

State of Health (SoH) and Remaining Useful Life (RUL) prediction for Li-ion batteries based on Physics-Informed Neural Networks (PINN).

Automatic materials characterization of infrared spectra using convolutional neural networks

This repository includes a notebook to run the open-source materials modeling package Quantum Espresso on Google Colab.

Deep Bayesian Active Learning with Image Data by Gal et al. (ICML 2017)

Codes accompanying the paper "Offline Reinforcement Learning via High-Fidelity Generative Behavior Modeling" (ICLR 2023) https://arxiv.org/abs/2209.14548

Deep recurrent Q learning on CartPole-v1 environment

PyTorch implementation of Advantage Actor Critic (A2C), Proximal Policy Optimization (PPO), Scalable trust-region method for deep reinforcement learning using Kronecker-factored approximation (ACKT…

Self-Supervised Attention-Aware Reinforcement Learning

A Reinforcement Framework for Inverse Design of MOFs

A playbook for systematically maximizing the performance of deep learning models.

Official codebase for Decision Transformer: Reinforcement Learning via Sequence Modeling.

ISUCON10予選

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology