Stars
Language
Sort by: Recently starred
Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" …
yifanlu0227 / gsplat.js
Forked from huggingface/gsplat.jsJavaScript Gaussian Splatting library.
Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
Development repository for the Triton language and compiler
tmlr-group / RGIB
Forked from AndrewZhou924/RGIB[NeurIPS 2023] "Combating Bilateral Edge Noise for Robust Link Prediction"
RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative interpretability
Human-annotated Mappings Dataset for Molecular Graph Partition
Official Implementation of KDD 2023 paper: "Pyramid Graph Neural Network: A Graph Sampling and Filtering Approach for Multi-scale Disentangled Representations"
A Natural Language Inference (NLI) model based on Transformers (BERT and ALBERT)
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactio…
Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
A Deep Learning Python Toolkit for Healthcare Applications.
An open-source tool-augmented conversational language model from Fudan University
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
Generative Adversarial Network for Tree Structured Data
Listing of papers about machine learning for proteins.
🔥🔥🔥 Latest works on video streaming/processing/analysis
[AAAI 2023] Contrastive Masked Autoencoders for Self-Supervised Video Hashing
A list of deep learning implementations in biology
The official implementation of our paper "MoleRec: Combinatorial Drug Recommendation with Substructure-Aware Molecular Representation Learning" (TheWebConf 2023).
[ICCV-2023] Official code for work "HumanMAC: Masked Motion Completion for Human Motion Prediction".
🚀🀄️ A fast and strong AI for riichi mahjong, powered by Rust and deep reinforcement learning.
[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"