EnzymeFlow official.

User friendly and accurate binder design pipeline

Protein Sequence Design with Deep Learning and Tooling like Monte Carlo Sampling and Analysis

Cell tracking and segmentation software

Template-based protein design with Raygun

[ICLR'24 spotlight] Saprot: Protein Language Model with Structural Alphabet

Official Repository for the Uni-Mol Series Methods

An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations

An open-source platform for developing protein models beyond AlphaFold.

Chai-1, SOTA model for biomolecular structure prediction

Open source implementation of AlphaFold3

Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

Dermatology ddx dataset, Jax implementations of Monte Carlo conformal prediction, plausibility regions and statistical annotation aggregation from our recent work on uncertain ground truth (TMLR'23…

DrugHIVE: Structure-based drug design with a deep hierarchical generative model

A toolset and pipeline for running zero shot and supervised protein fitness prediction, drop in compatible with scikitlearn

Multiple Protein Structure Alignment at Scale with FoldMason

Protein Ligand INteraction Dataset and Evaluation Resource

PINDER: The Protein INteraction Dataset and Evaluation Resource

SaprotHub: Making Protein Modeling Accessible to All Biologists

Diffusion-based all-atom protein generative model.

Bayesian Illumination is an accelerated generative model for optimization of small molecules.

repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model

Comprehensive benchmarking of protein-ligand structure generation methods (ICML 2024 AI4Science)

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

Implementation of Alphafold 3 in Pytorch