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The Python Risk Identification Tool for generative AI (PyRIT) is an open source framework built to empower security professionals and engineers to proactively identify risks in generative AI systems.

9 1 Updated Mar 25, 2026

BOOSTLET.js: image processing plugins for the web

JavaScript 19 16 Updated Jan 6, 2026

The repository provides code for running inference and finetuning with the Meta Segment Anything Model 3 (SAM 3), links for downloading the trained model checkpoints, and example notebooks that sho…

Python 8,974 1,309 Updated Apr 12, 2026

AlphaFold-initiated replica exchange protein docking

Python 91 17 Updated Jun 5, 2025

P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

Groovy 413 54 Updated Apr 3, 2026

⚡LLM Zoo is a project that provides data, models, and evaluation benchmark for large language models.⚡

Python 2,951 195 Updated Nov 26, 2023

A library of free open source icons for science illustrations in biology and chemistry

Vue 1,632 93 Updated Apr 9, 2026

Python3 translation of AutoDockTools

Python 140 34 Updated May 31, 2024
Python 128 16 Updated Feb 20, 2026

Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules

Jupyter Notebook 188 30 Updated Feb 7, 2022
Jupyter Notebook 2 Updated Nov 13, 2025

Universal Structure Alignment of Monomeric and Complex Structure of Nucleic Acids and Proteins

C++ 176 35 Updated Mar 29, 2026

A comprehensive macromolecular library

TypeScript 930 232 Updated Apr 12, 2026

GTalign, high-performance protein structure alignment, superposition and search

Cuda 55 5 Updated Aug 18, 2025
Python 307 58 Updated Apr 13, 2026
JavaScript 1 Updated May 9, 2025

Building Apps with LLMs

Jupyter Notebook 1,133 641 Updated Feb 11, 2024

The agent engineering platform

Python 133,509 22,053 Updated Apr 14, 2026

AlphaFold 3 inference pipeline.

Python 7,845 1,180 Updated Apr 14, 2026

Toward High-Accuracy Open-Source Biomolecular Structure Prediction.

Python 1,808 258 Updated Apr 13, 2026

ou-generativeai-pro

Jupyter Notebook 135 117 Updated Apr 8, 2026

[ICML-23 ORAL] ProtST: Multi-Modality Learning of Protein Sequences and Biomedical Texts

Python 101 8 Updated Oct 16, 2023

This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representation of Ligands and 3D Structure of Protein Binding Sites"

Python 46 9 Updated Dec 8, 2023

This is the repository for PIPR. This repository contains the source code and links to some datasets used in the ISMB/ECCB-2019 paper "Multifaceted Protein-Protein Interaction Prediction Based on S…

Python 111 27 Updated Jan 14, 2023

We took a look at the competition context and developed a first model for this 5th edition of the CAFA competition named proteiNet. Following this, we implemented various additions to build its big…

Python 8 1 Updated Jul 13, 2024

A powerful and flexible machine learning platform for drug discovery

Python 1,573 219 Updated Aug 12, 2024

Datasets

Python 4 Updated Aug 19, 2024

🤗 PEFT: State-of-the-art Parameter-Efficient Fine-Tuning.

Python 20,935 2,248 Updated Apr 13, 2026
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