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  • Technical University of Denmark
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Official repository for the ProteinGym benchmarks

HTML 360 45 Updated Jul 21, 2025

Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design

Jupyter Notebook 39 5 Updated Jul 17, 2024

In silico directed evolution of peptide binders with AlphaFold

Jupyter Notebook 244 55 Updated Oct 22, 2025

[ICML 24] Robust Optimization in Protein Fitness Landscapes Using Reinforcement Learning in Latent Space

Python 15 Updated Aug 9, 2024

Biological foundation modeling from molecular to genome scale

Jupyter Notebook 1,437 177 Updated Sep 22, 2025

Saprot: Protein Language Model with Structural Alphabet (AA+3Di)

Python 542 58 Updated Oct 28, 2025

Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models and training/task utilities. (ICLR 2024)

Python 257 23 Updated Apr 27, 2025

Transformer Based Language Model for Peptide Property Prediction

Python 48 16 Updated Aug 2, 2024

TorchCFM: a Conditional Flow Matching library

Python 2,096 169 Updated Nov 11, 2025
Jupyter Notebook 51 10 Updated Jul 16, 2025

🤖 Machine Learning Summer School Guide

HTML 2,907 322 Updated Nov 7, 2025

Chat with your database or your datalake (SQL, CSV, parquet). PandasAI makes data analysis conversational using LLMs and RAG.

Python 22,543 2,200 Updated Oct 28, 2025

AlphaFold Meets Flow Matching for Generating Protein Ensembles

Python 492 68 Updated Oct 21, 2025
Python 26 4 Updated May 19, 2024

Structure-conditioned masked language modeling for protein sequence design

Python 69 11 Updated Jan 31, 2024
Python 477 106 Updated Feb 6, 2025

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

Python 105 25 Updated Oct 30, 2025

A python module to plot secondary structure schemes

Python 25 Updated Oct 13, 2023

Visual Interactive Analysis of Molecular Dynamics

C++ 311 29 Updated Nov 7, 2025

De Novo Protein Design by Equivariantly Diffusing Oriented Residue Clouds

Python 183 23 Updated Apr 21, 2024

Official code repository for the paper "ProteinNPT: Improving Protein Property Prediction and Design with Non-Parametric Transformers"

Python 119 15 Updated Mar 15, 2025

Generation of protein sequences and evolutionary alignments via discrete diffusion models

Python 650 104 Updated May 29, 2025

Diffusion models of protein structure; trigonometry and attention are all you need!

Jupyter Notebook 556 72 Updated Dec 12, 2023

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

Python 1,090 232 Updated Aug 21, 2025

Protein-ligand structure prediction

Jupyter Notebook 234 20 Updated Jul 31, 2025
Jupyter Notebook 114 14 Updated Dec 7, 2022

Protein Design with Guided Discrete Diffusion

Python 136 13 Updated Feb 21, 2024
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