*The* fundamental software platform for chem- and bio-informatics

FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation

Antibody Numbering and Antigen Receptor ClassIfication

Reduce - tool for adding and correcting hydrogens in PDB files

AlphaFold 3 inference pipeline.

PINDER: The Protein INteraction Dataset and Evaluation Resource

Code to split an antibody PDB file into Fv fragments with their antigens

A modular framework for neural networks with Euclidean symmetry

Implementation for SE(3) diffusion model with application to protein backbone generation

Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)

KoLLaVA: Korean Large Language-and-Vision Assistant (feat.LLaVA)

3rd place solution for 2022 Samsung AI Challenge (Materials Discovery)

Practical Cheminformatics Tutorials

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Implementations of basic RL algorithms with minimal lines of codes! (pytorch based)

🤗 Transformers: the model-definition framework for state-of-the-art machine learning models in text, vision, audio, and multimodal models, for both inference and training.

🧬 gget enables efficient querying of genomic reference databases