Stars
pLM-informed E(3) equivariant deep graph neural networks for protein-nucleic acid binding site prediction
[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)
Examples for https://github.com/optuna/optuna
pytorch implementation of Munchausen Actor critic
PyTorch implementation of Soft-Actor-Critic and Prioritized Experience Replay (PER) + Emphasizing Recent Experience (ERE) + Munchausen RL + D2RL and parallel Environments.
CReM: chemically reasonable mutations framework
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
High-quality single file implementation of Deep Reinforcement Learning algorithms with research-friendly features (PPO, DQN, C51, DDPG, TD3, SAC, PPG)
强化学习中文教程(蘑菇书🍄),在线阅读地址:https://datawhalechina.github.io/easy-rl/
An open-source remote desktop application designed for self-hosting, as an alternative to TeamViewer.
Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
PyTorch implementation of MAE https//arxiv.org/abs/2111.06377