Geometric deep learning of protein–DNA binding specificity

A benchmark dataset for polymer informatics.

MeShClust: an intelligent tool for clustering DNA sequences

List of Molecular and Material design using Generative AI and Deep Learning

SAM: Sharpness-Aware Minimization (PyTorch)

Nature Methods: RNA foundation model (together with RhoFold)

NWChem Documentation

[ICML'24 Spotlight] LLM Maybe LongLM: Self-Extend LLM Context Window Without Tuning

[ACL 2024] PokeMQA: Programmable knowledge editing for Multi-hop Question Answering

A large collection of system log datasets for AI-driven log analytics [ISSRE'23]

Message Passing Neural Networks for Molecule Property Prediction

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

A Survey of Hallucination in Large Foundation Models

Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natural language to chemical modeling and property prediction

Repository for MolFormer

SELFormer: Molecular Representation Learning via SELFIES Language Models

Supporting code for the paper "Discovering senolytics with deep learning"

Supporting code for the paper "Discovery of a structural class of antibiotics with explainable deep learning"

Must-read Papers on Knowledge Editing for Large Language Models.

Papers about large graph models.

Awesome De novo drugs design papers

ACL 2023 (main): Multilingual Open Knowledge Base Completion

List of papers about Proteins Design using Deep Learning

We have created a new Github repository. Please visit https://github.com/ynchuang/DiscoverPath for the latest update.

A web app for ranking computer science departments according to their research output in selective venues, and for finding active faculty across a wide range of areas.

A PyTorch-based framework for Quantum Classical Simulation, Quantum Machine Learning, Quantum Neural Networks, Parameterized Quantum Circuits with support for easy deployments on real quantum compu…

Energetic GraphNeural Networks (EGNN) implementation based on Dirichlet Energy Constrained Learning.

Generate embeddings from large-scale graph-structured data.

An Industrial Graph Neural Network Framework

Large Scale Graphical Model