74 dependents
| Package | Description | Downloads/month |
|---|---|---|
| Investigate molecular dynamics by elastic network models | 236K | |
| Adding hydrogens to molecular models | 54K | |
| EvolutionaryScale open model repository | 21K | |
| A high performance drop-in replacement for Biotite's PDBFile. | 18K | |
| A generalized computational framework for biomolecular modeling. | 17K | |
| Toward High-Accuracy Open-Source Biomolecular Structure Prediction. | 13K | |
| PINDER: The Protein INteraction Dataset and Evaluation Resource | 7K | |
| NMR spectroscopy calculations for protein structures | 6K | |
| Protein design | 6K | |
| Generate realistic PDB files with mixed secondary structures for testing, educat... | 4K | |
| Protein Embedding Model for Structure Search | 4K | |
| Python package to extract quasi-rigid domains in protein shells and other macrom... | 3K | |
| It's a package for evaluation of predicted poses, right? | 3K | |
| 3K | ||
| Embedding methods for structure similarity search | 3K | |
| A fully open source biomolecular structure prediction model based on AlphaFold3 | 2K | |
| Pipeline for searching and aligning contact maps for proteins, then running Deep... | 2K | |
| Protein Ligand INteraction Dataset and Evaluation Resource | 2K | |
| Versatile pipeline for processing protein structure data for deep learning appli... | 2K | |
| A lightweight, fast pocket finder in Python. | 2K | |
| Structural heterogeneous cryoEM reconstruction: https://github.com/Gabriel-Ducro... | 2K | |
| Sandbox for Computational Protein Design | 2K | |
| PXMeter is a comprehensive toolkit for evaluating the quality of structu... | 2K | |
| D-SCRIPT: protein-protein interaction prediction | 1K | |
| Toolbox for molecular animations in Blender, powered by Geometry Nodes. | 1K | |
| AIDO.ModelGenerator is a software stack powering the development of an AI-driven... | 1K | |
| Protein Engineering via Exploration of an Energy Landscape | 999 | |
| Python drug discovery toolkit for Boltz2 structure and affinity prediction, Bolt... | 992 | |
| This is a Transformer-Based diffusion model for Efficient Protein Conformationa... | 958 | |
| Protein prediction models implemented with Modal | 787 | |
| An easy (and fast) API for popular 3D molecular datasets! | 732 | |
| PyPEF – Pythonic Protein Engineering Framework | 685 | |
| Feature extraction library for sequences and structures | 582 | |
| Improved antibody structure-based design using inverse folding | 565 | |
| Visualize structure data from Biotite with PyMOL | 564 | |
| PENSA - a collection of python methods for exploratory analysis and comparison o... | 535 | |
| Protein family language models | 519 | |
| A generative AI framework for 3D molecular generation and data-driven molecular ... | 510 | |
| Collection of useful modules and representations for managing DCA output data. | 492 | |
| General purpose toolkit for applied protein biology. | 488 | |
| OneScience是基于先进的深度学习框架打造的科学计算工具包，旨在通过一系列高度集成的组件加速科学研究和技术开发进程。 | 388 | |
| Benchmarking framework for protein representation learning. Includes a large num... | 376 | |
| MCP server for PDB structure queries and protein resolution using AnAge database | 366 | |
| Python package for the detection of intamolecular isopeptide bonds in protein st... | 343 | |
| Generated color schemes for sequence alignment visualizations | 338 | |
| Bringing bio (molecules and more) to the Hugging Face Datasets library | 314 | |
| TCR angle calculation and geometry-based TCR generation | 302 | |
| 288 | ||
| A de novo generation pipeline leveraging evolutionary information for broad-spec... | 232 | |
| shadowpxmeter is a comprehensive toolkit for evaluating the quality of s... | 229 |
