☆44Jan 10, 2024Updated 2 years ago
Alternatives and similar repositories for metal-site-prediction
Users that are interested in metal-site-prediction are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆18Mar 13, 2024Updated 2 years ago
- Metal and Water prediction☆13Feb 5, 2025Updated last year
- Structure-conditioned masked language modeling for protein sequence design☆72Jan 31, 2024Updated 2 years ago
- protein docking stuff☆52Sep 2, 2024Updated last year
- Building more accurate protein structures from backbone torsion angles☆15Mar 21, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆62Apr 9, 2024Updated last year
- Structure prediction of alternative protein conformations☆83Feb 24, 2025Updated last year
- A protein structure dataset that combines 3D atomic coordinates with biophysical and evolutionary properties for every atom in every "cle…☆39Jul 25, 2024Updated last year
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆98Aug 29, 2023Updated 2 years ago
- Codebase for our preprint using trRosetta to design proteins with discontinuous functional sites, found here: https://www.biorxiv.org/con…☆16Oct 27, 2021Updated 4 years ago
- ☆47Sep 16, 2024Updated last year
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆14Nov 14, 2025Updated 4 months ago
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆14Nov 24, 2020Updated 5 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆13Jul 7, 2024Updated last year
- Code for our paper "Protein sequence design with a learned potential"☆34Aug 5, 2021Updated 4 years ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆63May 21, 2025Updated 10 months ago
- Design a local part of a protein☆20Jan 12, 2023Updated 3 years ago
- ☆27Aug 8, 2025Updated 7 months ago
- Bayesian Optimization with Pretrained Protein Sequence Models☆56Jul 27, 2024Updated last year
- Using Rotamer Interaction Fields from RIFGen/Dock in python☆17May 2, 2021Updated 4 years ago
- ☆15Jun 3, 2025Updated 9 months ago
- Neural network model for prediction of amino-acid sequence from a protein backbone structure☆25Mar 5, 2025Updated last year
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Material from papers from KULL centre☆71May 29, 2024Updated last year
- ☆37Aug 28, 2023Updated 2 years ago
- ☆37Dec 21, 2023Updated 2 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆38Mar 16, 2026Updated 2 weeks ago
- Deep learning + physical modeling for 3D protein metal ion binding prediction☆13Feb 24, 2025Updated last year
- Code for our paper "Protein sequence design with a learned potential"☆82Sep 8, 2023Updated 2 years ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆35May 28, 2024Updated last year
- Extension of ThermoMPNN for double mutant predictions☆56Mar 23, 2026Updated last week
- ☆70Feb 13, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆88Jun 23, 2024Updated last year
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Jul 5, 2025Updated 8 months ago
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆237Updated this week
- MAGPIE☆16May 5, 2024Updated last year
- mdml: Deep Learning for Molecular Simulations☆53May 17, 2025Updated 10 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆179Oct 7, 2025Updated 5 months ago
- Some Rosetta Scripts that allow for various simple tasks☆15Jan 27, 2020Updated 6 years ago