GerNA-Bind: Geometric-enhanced RNA-ligand Binding Specificity Prediction with Deep Learning

Nature Methods: RNA foundation model (together with RhoFold)

AIDO.ModelGenerator is a software stack powering the development of an AI-driven Digital Organism (AIDO) by enabling researchers to adapt pretrained models and generate finetuned models for downstr…

Better Data Splits for Machine Learning

Learning Universal Representations of Intermolecular Interactions with ATOMICA

Official repository for the review article "Modeling protein–ligand interactions for drug discovery in the era of deep learning."

OriGene: A Self-Evolving Virtual Disease Biologist for Mechanism-Guided Therapeutic Target Discovery

Codebase for Paper: Benchmarking Real-World Applicability of Molecular Generative Models from De novo Design to Lead Optimization with MolGenBench

Tahoe-x1 is a single cell foundation model designed for gigascale datasets

Awesome Protein Representation Learning

Official repository for MolCRAFT series

Democratizing AI scientists with ToolUniverse

UNAGI: deep generative AI for virtual disease and unsuperivsed in-silico perturbations.

SciToolAgent: A Knowledge Graph-Driven Scientific Agent for Multi-Tool Integration

This repository contains all supporting analyses and files for Ramezani, Weisbart, Bauman, and Singh, et al. "A genome-wide atlas of human cell morphology".

Combinatorial prediction of therapeutic perturbations using causally-inspired neural networks

GEARS is a geometric deep learning model that predicts outcomes of novel multi-gene perturbations

Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning

Papers about Structure-based Drug Design (SBDD)

一款提示词优化器，助力于编写高质量的提示词