Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Net...
[ECCV 2022, Oral Presentation] Official PyTorch implementation of GMPI
Pytorch framework for doing deep learning on point clouds.
An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
Train high-quality text-to-image diffusion models in a data & compute efficient manner