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.☆192Oct 7, 2025Updated last year
- ☆17Aug 20, 2024Updated 2 years ago
- ☆93Sep 25, 2024Updated 2 years ago
- ☆47Sep 16, 2024Updated 2 years ago
- Modelling protein conformational landscape with Alphafold☆62Oct 1, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆11Mar 18, 2024Updated 2 years ago
- Open source code for AlphaFold.☆18Jun 9, 2024Updated 2 years ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆547Mar 22, 2026Updated 6 months ago
- Weighted Ensemble Data Analysis and Plotting☆27Jul 17, 2026Updated 2 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆180Jun 25, 2026Updated 3 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☆37Jul 16, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆65Dec 16, 2025Updated 9 months ago
- [Neurips 2025] Official Implementation of ConfRover models☆32Feb 3, 2026Updated 8 months ago
- CIFcurator helps create a curated ensemble of molecular structures☆19Sep 25, 2026Updated 2 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 3 years ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆336Oct 6, 2025Updated last year
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆39Jul 17, 2024Updated 2 years ago
- ☆41Mar 25, 2026Updated 6 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆146Sep 7, 2026Updated last month
- 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.
- Differentiable Pairing using Alignment-based Language Models☆27Jan 5, 2024Updated 2 years ago
- Cryptic pocket prediction using AlphaFold 2☆25Nov 27, 2022Updated 3 years ago
- ☆55Apr 23, 2026Updated 5 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆232Apr 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 last year
- rid☆25Aug 15, 2021Updated 5 years ago
- GPU-accelerated (CUDA) contact molecular surface (CMS) and Lawrence & Colman shape complementarity (SC) for protein design☆32Sep 26, 2026Updated last week
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆73Apr 13, 2026Updated 5 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆19Aug 18, 2026Updated last month
- ☆16Jun 11, 2021Updated 5 years ago
- The code for NeurIPS 2023 paper DSR☆14Oct 8, 2023Updated 3 years ago
- ☆12Jun 16, 2023Updated 3 years ago
- ☆57Updated this week
- EnsembleFlex - Flexibility Analysis of Structure Ensembles☆20Sep 10, 2025Updated last year
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 2026Updated 7 months ago