Prediction and re-engineering of the cofactor specificity of Rossmann-fold proteins
☆14Nov 5, 2023Updated 2 years ago
Alternatives and similar repositories for rossmann-toolbox
Users that are interested in rossmann-toolbox are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Detection of remote homology by comparison of protein language model representations☆61Dec 16, 2024Updated last year
- Python package to manage protein structures and their annotations☆46Mar 18, 2026Updated last month
- EMERALD calculates safety-windows by exploring the suboptimal alignment space☆17Jan 13, 2026Updated 3 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Jan 22, 2024Updated 2 years ago
- graph neural network layer for Deep Graph Library with pytorch backend☆30Oct 18, 2021Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- RDKit中文教程☆16Jun 21, 2020Updated 5 years ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆116Aug 13, 2025Updated 8 months ago
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated last year
- Code for holographic machine learning of proteins☆25Oct 29, 2024Updated last year
- Graphical Representation of Ancestral Sequence Predictions☆12Mar 6, 2023Updated 3 years ago
- Secondary structure prediction of long non-coding RNA: review and experimental comparison of existing approaches, L.A. Bugnon, A.A. Edera…☆20Mar 17, 2024Updated 2 years ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆21Jan 4, 2025Updated last year
- Perl class for direct graph data structures and algorithms☆23Mar 27, 2025Updated last year
- GCsnap: interactive snapshots for the comparison of protein-coding genomic contexts☆36Apr 16, 2024Updated 2 years ago
- 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.
- ☆16Oct 8, 2023Updated 2 years ago
- ☆75Sep 25, 2024Updated last year
- ☆13Mar 26, 2024Updated 2 years ago
- Input-output data with Python☆17Feb 4, 2023Updated 3 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆24Mar 2, 2024Updated 2 years ago
- ☆10Feb 12, 2025Updated last year
- Interactive application to verify multiple LLMs☆14Feb 20, 2024Updated 2 years ago
- A python library to provide low code support for static and interactive data visualizations ✨☆14Mar 18, 2024Updated 2 years ago
- Wrapper tool for ancestral sequence and indel reconstruction using IQ-TREE☆12Oct 20, 2025Updated 6 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.
- A generalized enzyme kinetics parameter prediction model.☆82Oct 2, 2025Updated 6 months ago
- A deep learning-based predictor of enzyme optimal pH☆8Jun 25, 2025Updated 10 months ago
- A package for making tree-based visualizations for embedding vectors☆10Feb 6, 2023Updated 3 years ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆37Jul 16, 2024Updated last year
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Aug 12, 2024Updated last year
- A little simple blog for my python practice.☆10Jul 6, 2022Updated 3 years ago
- ☆15Apr 3, 2025Updated last year
- ☆22Aug 1, 2023Updated 2 years ago
- ☆14Apr 16, 2016Updated 10 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Example tools for modeling adsorption processes using the API tools from http://adsorption.nist.gov☆13Apr 29, 2021Updated 5 years ago
- Protein Structure Archiver☆14Sep 10, 2025Updated 7 months ago
- Deep learning model for predicting adsorption isotherms of MOFs☆16Oct 5, 2022Updated 3 years ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated 8 months ago
- ☆10Jan 31, 2017Updated 9 years ago
- A tool to detect RRNPP-type quorum sensing systems☆10Mar 24, 2023Updated 3 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago