Code and data used in https://doi.org/10.1101/2021.08.01.454656
☆56May 2, 2022Updated 4 years ago
Alternatives and similar repositories for Peptide_docking_with_AF2_and_RosettAfold
Users that are interested in Peptide_docking_with_AF2_and_RosettAfold are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Using Rotamer Interaction Fields from RIFGen/Dock in python☆18May 2, 2021Updated 5 years ago
- Peptide Virtual Screening Pipeline☆14Jul 3, 2019Updated 6 years ago
- ☆30Apr 2, 2026Updated last month
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Aug 20, 2021Updated 4 years ago
- ☆18Mar 13, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Protein hallucination and inpainting with RoseTTAFold☆281Mar 30, 2023Updated 3 years ago
- ☆52Jun 19, 2024Updated last year
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆21Apr 12, 2019Updated 7 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
- Pytorch/Python3 implementation of DeepAccNet, protein model accuracy evaluator.☆90Jun 18, 2021Updated 4 years ago
- ☆11Apr 21, 2023Updated 3 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated 10 months ago
- In silico directed evolution of peptide binders with AlphaFold☆268Apr 24, 2026Updated last month
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Integrated physics-based and ligand-based modeling.☆70Oct 27, 2025Updated 7 months ago
- ☆39Aug 28, 2023Updated 2 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- Some scripts that I keep using over and over.☆21Jul 5, 2025Updated 10 months ago
- Code used in the manuscript for De Novo Design of Bioactive Protein Switches☆17May 16, 2019Updated 7 years ago
- ☆248May 22, 2023Updated 3 years ago
- Rotamer Interaction Field Python Libraries for Computational Protein Design☆14Feb 2, 2018Updated 8 years ago
- protein docking stuff☆52Apr 2, 2026Updated last month
- implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking☆73Feb 9, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆174Feb 6, 2026Updated 3 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆57Dec 27, 2023Updated 2 years ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆757Jun 19, 2024Updated last year
- ☆38Dec 21, 2023Updated 2 years ago
- Optimization of binding affinities in chemical space for drug discovery☆36Jan 31, 2023Updated 3 years ago
- Code and software used to design de novo protein nanomachines. Supplementary material for "Computational design of nanoscale rotational m…☆10Mar 19, 2022Updated 4 years ago
- Experiments in protein folding through language modeling☆10Dec 10, 2021Updated 4 years ago
- Making Protein folding accessible to all!☆26Mar 22, 2026Updated 2 months ago
- Ligand Binding Site detection using Deep Learning☆116May 6, 2025Updated last year
- 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.
- Pocket dynamics analysis tool☆18Apr 24, 2026Updated last month
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆33Aug 10, 2023Updated 2 years ago
- Parametric Building of de novo Functional Topologies☆44Mar 11, 2022Updated 4 years ago
- Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design☆83Aug 27, 2021Updated 4 years ago
- ☆13Jul 11, 2023Updated 2 years ago
- ☆77Sep 19, 2022Updated 3 years ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆17Jul 9, 2024Updated last year