Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.
☆12Dec 29, 2020Updated 5 years ago
Alternatives and similar repositories for match_ligand_binding_sites
Users that are interested in match_ligand_binding_sites are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Neural network model for prediction of amino-acid sequence from a protein backbone structure☆25Mar 5, 2025Updated last year
- Some scripts that I keep using over and over.☆21Jul 5, 2025Updated last year
- ☆11Aug 5, 2020Updated 5 years ago
- Code for deep learning guided design of dynamic proteins☆33Jul 16, 2024Updated last year
- ☆18Dec 22, 2017Updated 8 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- functional genomic data integration☆10Sep 22, 2019Updated 6 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆57Dec 27, 2023Updated 2 years ago
- Metal and Water prediction☆14Feb 5, 2025Updated last year
- A curated list of resources for protein analysis on AWS☆34Jul 8, 2024Updated last year
- some tools for working with protein (PDB) files in tensorflow☆11Jul 9, 2019Updated 6 years ago
- SDSC Summer Institute 2018 Teaching Material☆10Nov 25, 2022Updated 3 years ago
- MM/PBSA binding free energy calculation☆22May 31, 2024Updated 2 years ago
- ☆15Mar 28, 2025Updated last year
- Python Toolbox For Rosetta Silent Files Processing☆16May 23, 2019Updated 7 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆34Sep 19, 2025Updated 9 months ago
- Protein Origami via Genetic Fusions☆18Sep 19, 2022Updated 3 years ago
- A Python framework for the rapid modeling of glycans☆19Jun 19, 2026Updated 2 weeks ago
- A protein structure dataset that combines 3D atomic coordinates with biophysical and evolutionary properties for every atom in every "cle…☆38Jul 25, 2024Updated last year
- ☆18Mar 13, 2024Updated 2 years ago
- ☆32Feb 5, 2025Updated last year
- a pytorch version for GREMLIN, used to predict the protein contacts by coevolution method.☆17May 30, 2021Updated 5 years ago
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆23Mar 6, 2025Updated last year
- Official code release for Ambient Protein Diffusion☆35Aug 30, 2025Updated 10 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆17Mar 26, 2024Updated 2 years ago
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆75Jul 2, 2025Updated last year
- Protein surface topographical mapping tool☆29Aug 17, 2023Updated 2 years ago
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆85Sep 12, 2024Updated last year
- Soft benchmark sets for alchemical free energy calculations, for assessing their accuracy on biomolecular systems☆17Mar 8, 2019Updated 7 years ago
- Using Rotamer Interaction Fields from RIFGen/Dock in python☆17May 2, 2021Updated 5 years ago
- ☆30Aug 8, 2025Updated 10 months ago
- Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards☆47Sep 29, 2021Updated 4 years ago
- Efficient manipulation of protein structures in Python☆68Jun 16, 2026Updated 2 weeks ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Associative memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code☆42Dec 11, 2025Updated 6 months ago
- 豆瓣大笨钟☆10Jun 10, 2026Updated 3 weeks ago
- ☆156Aug 17, 2022Updated 3 years ago
- Official repository of GENzyme☆64Nov 29, 2024Updated last year
- Steering discrete diffusion models with labeled data for protein fitness optimization☆30Nov 1, 2025Updated 8 months ago
- A set of tools to analyze and interpret auditory steady-state responses, particularly the subcortical kind commonly known as frequency-fo…☆15Jan 19, 2026Updated 5 months ago
- ☆53Apr 22, 2026Updated 2 months ago