hgbrian

candle

Minimalist ML framework for Rust

starlette

The little ASGI framework that shines. 🌟

marimo

A reactive notebook for Python — run reproducible experiments, execute as a script, deploy as an app, and version with git.

chai-lab

Chai-1, SOTA model for biomolecular structure prediction

PaddleHelix

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

AlphaFold3

Open source implementation of AlphaFold3

biotite

A comprehensive library for computational molecular biology

edlib

Lightweight, super fast C/C++ (& Python) library for sequence alignment using edit (Levenshtein) distance.

ProLIF

Interaction Fingerprints for protein-ligand complexes and more

alphaflow

AlphaFold Meets Flow Matching for Generating Protein Ensembles

DiaNN

DIA-NN - a universal automated software suite for DIA proteomics data analysis.

Polars-Cookbook

Polars Cookbook, Published by Packt

hgvs

Python library to parse, format, validate, normalize, and map sequence variants. `pip install hgvs`

DockQ

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

AlphaPulldown

DiffDock-PP

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

misato-dataset

protpardelle

Diffusion-based all-atom protein generative model.

alphafold_finetune

Python code for fine-tuning AlphaFold to perform protein-peptide binding predictions

genie2

Protein structure diffusion model for unconditional protein generation and motif scaffolding

AIMNet2

python-rust-fst

Python bindings for Rust's fst crate

DiffPepBuilder

Official repository for Target-Specific De Novo Peptide Binder Design with DiffPepBuilder

pepmlm

Target Sequence-Conditioned Generation of Peptide Binders via Masked Language Modeling

deeprank2

An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.

wf-clone-validation

LightMHC

LightMHC: A Light Model for pMHC Structure Prediction with Graph Neural Networks

twitter95

What if Twitter was around in the year 1995?

PD-1_Fab_Diffusion

PD-1 Targeted Antibody Discovery Using AI Protein Diffusion

3D-Vac

Personalized cancer vaccine design through 3D modelling boosted geometric learning.