Generative Protein Emulator

Kronos: A Foundation Model for the Language of Financial Markets

Drug Discovery

BioNeMo Framework: For building and adapting AI models in drug discovery at scale

A single model for all your molecular design tasks

Automatically annotates the Sites of Metabolism (SoMs) of substrate-metabolite pairs.

A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation

The code for SCAGE.

Analyse metabolic stability predictions using SHapley Additive exPlanations.

Code for the paper "JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design"

Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure

从无名小卒到大模型（LLM）大英雄~ 欢迎关注后续！！！

中文翻译的 Hands-On-Large-Language-Models (hands-on-llms)，动手学习大模型

Ankh: Optimized Protein Language Model

Official repository for the Boltz biomolecular interaction models

AI-powered ab initio biomolecular dynamics simulation

Text-Guided Multi-Property Molecular Optimization with a Diffusion Language Model

AlphaFold 3 inference pipeline.

Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch