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code for SeqDance/ESMDance, biophysics-informed protein language models

Jupyter Notebook 34 3 Updated Apr 2, 2025

An embedded key-value database in pure Rust

Rust 3,673 167 Updated May 9, 2025
Python 11 1 Updated Apr 10, 2025

A tool for retrosynthetic planning

Python 659 142 Updated Apr 11, 2025

A BERT model for scientific text.

Python 1,597 227 Updated Feb 22, 2022

bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

Jupyter Notebook 446 67 Updated Oct 27, 2024

Papers about Structure-based Drug Design (SBDD)

111 10 Updated Dec 11, 2024

Code release for "LogME: Practical Assessment of Pre-trained Models for Transfer Learning" (ICML 2021) and Ranking and Tuning Pre-trained Models: A New Paradigm for Exploiting Model Hubs (JMLR 2022)

Python 209 19 Updated Oct 6, 2023

Fragment binding prediction with ColabFold

Python 34 10 Updated Mar 22, 2025

DeepVariant is an analysis pipeline that uses a deep neural network to call genetic variants from next-generation DNA sequencing data.

Python 3,389 748 Updated Mar 19, 2025

A toolkit for optimal workflow recommendation for proteomics data differential expression analysis

Python 14 2 Updated Oct 10, 2024

Homomer symmetry prediction from protein sequence

Python 24 7 Updated Mar 13, 2025

Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and relies on a tailored scalable transformer architecture.

Python 157 18 Updated Mar 1, 2025

Official open-source of Antibody Design Using a Score-based Diffusion Model Guided by Evolutionary, Physical, and Geometric Constraints

Python 32 4 Updated Jan 1, 2025

🏭 Easy data acquisition, benchmark resources, PLM fine-tuning for bio-researchers.

Python 81 11 Updated May 9, 2025

A Protein Large Language Model for Generate Nanobody Sequences

Python 5 1 Updated Nov 5, 2024

Versatile Embedding Network for Understanding protein Sequences

Python 19 2 Updated Mar 31, 2025

Protein hallucination and inpainting with RoseTTAFold

Python 258 67 Updated Mar 30, 2023

Protein function prediction using protein structures and deep graph neural networks.

HTML 12 2 Updated Jan 24, 2025

Generative Models for Graph-Based Protein Design

Python 276 60 Updated Dec 24, 2020

Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design

Python 81 10 Updated Aug 27, 2021

Remote protein homology detection suite.

C 569 140 Updated Nov 8, 2024

A package to predict protein inter-residue geometries from sequence data

Python 216 46 Updated Sep 27, 2021

List of papers about Proteins Design using Deep Learning

1,663 193 Updated May 9, 2025

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

Python 3,600 686 Updated Feb 7, 2024

trRosetta for protein design

Jupyter Notebook 179 33 Updated May 15, 2021

Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical Prompt Learning"

Python 39 5 Updated Oct 8, 2024
Python 47 13 Updated Oct 23, 2024
Python 372 74 Updated Feb 6, 2025
Python 1 Updated Apr 30, 2025
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