Scripts for the creation of CryptoBench, a new dataset of cryptic binding sites
☆23Jun 24, 2026Updated 3 months ago
Alternatives and similar repositories for CryptoBench
Users that are interested in CryptoBench are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆14Feb 11, 2026Updated 7 months ago
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆19Jun 14, 2024Updated 2 years ago
- Web application for protein-ligand binding sites analysis and visualization☆20Aug 22, 2026Updated last month
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆18Nov 19, 2024Updated last year
- Open-source Deep Learning Framework for Allosteric Pocket Prediction☆17Jul 31, 2026Updated 2 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.
- code for SeqDance/ESMDance, biophysics-informed protein language models☆65Jan 28, 2026Updated 8 months ago
- Detect and characterize binding pockets from molecular simulations.☆19Mar 17, 2026Updated 6 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆31Nov 8, 2024Updated last year
- This is an official implementation for "MMSite: A Multi-modal Framework for the Identification of Active Sites in Proteins".☆19Jan 4, 2025Updated last year
- Template-based RNA secondary structure visualization☆29Aug 31, 2026Updated last month
- ESMDynamic repo☆37Jun 26, 2026Updated 3 months ago
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆18Aug 22, 2024Updated 2 years ago
- Code for running RFdiffusion☆15Oct 23, 2025Updated 11 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.
- A python package for generating disordered sequences and disorder sequence variants.☆28Sep 2, 2026Updated last month
- ☆102Feb 14, 2024Updated 2 years ago
- Web application for protein-ligand binding sites analysis and visualization☆16Jan 9, 2023Updated 3 years ago
- ☆24Mar 8, 2024Updated 2 years ago
- Unified all-atom structure-conditioned molecule generation☆22Nov 21, 2025Updated 10 months ago
- MOLeculAR structure annoTator☆33Oct 2, 2024Updated 2 years ago
- Plugin for folding sequences directly in PyMOL☆29Aug 5, 2025Updated last year
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆14Sep 4, 2026Updated last month
- Code release for "Improving diffusion-based protein backbone generation with global-geometry-aware latent encoding"☆48Aug 5, 2025Updated last year
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆74Nov 22, 2025Updated 10 months ago
- [AAAI 2025] CoPRA: Bridging Cross-domain Pretrained Sequence Models with Complex Structures for Protein-RNA Binding Affinity Prediction☆40Dec 23, 2024Updated last year
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆464Sep 11, 2026Updated 3 weeks ago
- ☆11Nov 22, 2024Updated last year
- CIFcurator helps create a curated ensemble of molecular structures☆19Sep 25, 2026Updated 2 weeks ago
- A benchmark dataset for protein-ligand co-folding prediction☆92Aug 13, 2025Updated last year
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆13Nov 14, 2025Updated 10 months ago
- Polarisable force field for ionic liquids☆20Apr 16, 2026Updated 5 months ago
- Ready-To-Use Pymol Plugin for Docking and Minimization☆11Nov 15, 2025Updated 10 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.
- ☆12Apr 6, 2024Updated 2 years ago
- LaTex template for ITMO style presentations☆12Jan 19, 2025Updated last year
- Differentiable RNA folding in JAX☆31Mar 25, 2025Updated last year
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆47Oct 2, 2025Updated last year
- An interpretable machine learning algorithm to predict disordered protein phase separation based on biophysical interactions☆14Apr 10, 2026Updated 6 months ago
- Přípravný materiál na zkoušku z Javy☆11Jan 27, 2025Updated last year
- An accurate and trainable end-to-end protein-ligand docking framework☆149Mar 24, 2025Updated last year