Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2
☆44May 15, 2024Updated 2 years ago
Alternatives and similar repositories for gms_natcomms_1705932980_data
Users that are interested in gms_natcomms_1705932980_data are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆191Oct 7, 2025Updated 11 months ago
- ☆17Aug 20, 2024Updated 2 years ago
- ☆92Sep 25, 2024Updated last year
- ☆47Sep 16, 2024Updated 2 years ago
- Modelling protein conformational landscape with Alphafold☆62Aug 29, 2025Updated last year
- 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.
- Open source code for AlphaFold.☆18Jun 9, 2024Updated 2 years ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆545Mar 22, 2026Updated 5 months ago
- Weighted Ensemble Data Analysis and Plotting☆27Jul 17, 2026Updated 2 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆179Jun 25, 2026Updated 2 months ago
- Structure prediction of alternative protein conformations☆86Feb 24, 2025Updated last year
- ☆74Feb 13, 2026Updated 7 months ago
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆99Aug 29, 2023Updated 3 years ago
- Code for deep learning guided design of dynamic proteins☆35Jul 16, 2024Updated 2 years ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆64Dec 16, 2025Updated 9 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- [Neurips 2025] Official Implementation of ConfRover models☆32Feb 3, 2026Updated 7 months ago
- CIFcurator helps create a curated ensemble of molecular structures☆19Aug 20, 2026Updated 3 weeks ago
- DomainMapper is a parser for hmmscan full output files built centrally around ECOD domain definitions. Users can optimize DomainMapper's …☆13Dec 13, 2023Updated 2 years ago
- MEGADOCK on Google Colaboratory☆20Oct 2, 2023Updated 2 years ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆336Oct 6, 2025Updated 11 months ago
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆39Jul 17, 2024Updated 2 years ago
- ☆41Mar 25, 2026Updated 5 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆146Sep 7, 2026Updated last week
- Differentiable Pairing using Alignment-based Language Models☆27Jan 5, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Cryptic pocket prediction using AlphaFold 2☆25Nov 27, 2022Updated 3 years ago
- ☆54Apr 23, 2026Updated 4 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆228Apr 15, 2025Updated last year
- A step-by-step tutorial to run Molecular Dynamics Simulations with enhanced sampling of a pepitide using PLUMED implemented in GROMACS to…☆16Mar 4, 2024Updated 2 years ago
- Prediction of Protein-Small molecule binding affinities☆22Oct 1, 2025Updated 11 months ago
- rid☆25Aug 15, 2021Updated 5 years ago
- Longxing Cao's Contact Molecular Surface without pyrosetta☆15May 24, 2026Updated 3 months ago
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆72Apr 13, 2026Updated 5 months ago
- ☆19Aug 18, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆16Jun 11, 2021Updated 5 years ago
- The code for NeurIPS 2023 paper DSR☆14Oct 8, 2023Updated 2 years ago
- ☆12Jun 16, 2023Updated 3 years ago
- ☆56Sep 7, 2026Updated last week
- EnsembleFlex - Flexibility Analysis of Structure Ensembles☆19Sep 10, 2025Updated last year
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 2026Updated 6 months ago
- MAGPIE☆17May 5, 2024Updated 2 years ago