Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.
MIT License
MMdnn is a set of tools to help users inter-operate among different deep learning frameworks. E.g...
A PyTorch Library for Multi-Task Learning
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".
CogDL: A Comprehensive Library for Graph Deep Learning (WWW 2023)
The Incredible PyTorch: a curated list of tutorials, papers, projects, communities and more relat...
PyTorch implementation of SimCLR: A Simple Framework for Contrastive Learning of Visual Represent...
🔥 PyTorch implementation of GNINA scoring function for molecular docking
Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
A powerful and flexible machine learning platform for drug discovery
Experiments of Pytorch SimCLR: A Simple Framework for Contrastive Learning of Visual Representations
Collection of SOTA efficient computer vision models for embedded applications, with pre-trained w...
implementation of paper - You Only Learn One Representation: Unified Network for Multiple Tasks (...