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A fast, distributed, high performance gradient boosting (GBT, GBDT, GBRT, GBM or MART) framework based on decision tree algorithms, used for ranking, classification and many other machine learning …

C++ 18,002 3,975 Updated Jan 9, 2026

A Python Package to Tackle the Curse of Imbalanced Datasets in Machine Learning

Python 7,077 1,324 Updated Dec 24, 2025

Library for diffusion maps

Python 47 14 Updated Dec 22, 2021
Jupyter Notebook 109 30 Updated Dec 20, 2025
Jupyter Notebook 767 160 Updated Jan 9, 2026

A simplified implementation of DSSP algorithm for PyTorch and NumPy

Python 97 14 Updated Jun 9, 2025

A Latex style and template for paper preprints (based on NIPS style)

TeX 1,436 363 Updated Jan 2, 2024

Codebase for Germinal, a broadly enabling generative pipeline for efficient generation of epitope-targeted de novo antibodies.

Python 179 30 Updated Nov 27, 2025

Parallel S3 and local filesystem execution tool.

Go 3,831 326 Updated Jun 13, 2025

TCR and BCR assembly from RNA-seq data

C 338 60 Updated Jan 10, 2026

MiXCR is an ultimate software platform for analysis of Next-Generation Sequencing (NGS) data for immune profiling.

Kotlin 380 81 Updated Jan 10, 2026

Repository containing pipelines developed for the SNAC-DB (Structural NANOBODY® VHH and Antibody Complex Database). SNAC-DB is ML-ready curation of the Protein Data Bank (PDB) for NANOBODY® VHH and…

Python 10 Updated Oct 24, 2025

IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.

Python 157 16 Updated Jul 16, 2025

DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models

Python 354 72 Updated Nov 7, 2025

Fold Conditioned protein design pipeline based on AF2Multimer Hallucination

Python 46 6 Updated Dec 2, 2025

🎨 UI for monitoring your Metaflow executions!

TypeScript 351 41 Updated Jan 6, 2026

Fast indexing and search of discontinuous motifs in protein structures

Rust 110 10 Updated Jan 6, 2026
Python 73 20 Updated Oct 23, 2024

PyTorch Extension Library of Optimized Graph Cluster Algorithms

C++ 908 162 Updated Aug 12, 2025

Official repository for the Boltz biomolecular interaction models

Python 3,610 723 Updated Oct 3, 2025

A language model suite for numbering antigen receptor sequences.

Jupyter Notebook 34 4 Updated Dec 16, 2025

Protein design and variant prediction using autoregressive generative models

Python 117 21 Updated Jan 23, 2024

CodonTransformer (1M+ Downloads); The tool for codon optimization, optimizing DNA for protein expression

Python 191 29 Updated Jul 27, 2025

An ultra-fast all-in-one FASTQ preprocessor (QC/adapters/trimming/filtering/splitting/merging...)

C++ 2,258 368 Updated Nov 23, 2025

A NumPy port of the foldseek code for encoding protein structures to 3di.

Python 77 3 Updated Aug 22, 2025

CHARMM and AMBER forcefields for OpenMM (with small molecule support)

Rich Text Format 341 86 Updated Jan 6, 2026

An extremely fast Python package and project manager, written in Rust.

Rust 76,739 2,434 Updated Jan 12, 2026

[Nature Machine Intelligence] ImmunoStruct enables multimodal deep learning for immunogenicity prediction

Python 30 8 Updated Jan 11, 2026

Dataset and package for working with protein-protein interactions in 3D

Jupyter Notebook 100 9 Updated Apr 28, 2025

Python module for quantum chemistry

Python 1,502 657 Updated Jan 11, 2026
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