Ligand-binding site classification with deep graph neural networks.
☆10Sep 24, 2023Updated 2 years ago
Alternatives and similar repositories for Graphsite-classifier
Users that are interested in Graphsite-classifier are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34May 2, 2024Updated last year
- Protein discovery tool for mining in the Alphafold database based on the position of few amino acids.☆29Jan 16, 2026Updated 2 months ago
- A sample code sample to accompany the paper titled "Engineering flexible machine learning systems by traversing functionally-invariant pa…☆13Sep 2, 2024Updated last year
- Protein Sequence Evolutionary Information Language Model☆13Oct 5, 2023Updated 2 years ago
- A Generative Adversarial Network Model Alternative to Animal Studies for Clinical Pathology Assessment☆15Jan 10, 2024Updated 2 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22May 19, 2022Updated 3 years ago
- Structure-Informed Protein Language Model☆38Feb 15, 2024Updated 2 years ago
- A curated list of awesome protein design research, software and resources.☆16May 10, 2022Updated 3 years ago
- The SimSite3D Software tools are designed to quickly search a database of three dimensional structures, in Protein Data Bank format, with…☆11Oct 18, 2018Updated 7 years ago
- Enzyme Activity Prediction of Sequence Variants onNovel Substrates using Improved Substrate Encodings and Convolutional Pooling☆18Nov 28, 2022Updated 3 years ago
- ProtFeat is protein feature extraction tool that utilizes POSSUM and iFeature.☆20Sep 16, 2024Updated last year
- ML toolset for creating TED: The Encyclopedia of Domains☆26May 29, 2025Updated 9 months ago
- A geometric deep learning method for refining and assessing protein complex structures.☆16Oct 22, 2022Updated 3 years ago
- Trainable representation analysis study repository☆44Apr 5, 2022Updated 3 years ago
- An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.☆58Mar 12, 2026Updated last week
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Feb 17, 2025Updated last year
- ☆20Jun 10, 2024Updated last year
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆34Nov 18, 2023Updated 2 years ago
- LMetalSite: alignment-free metal ion-binding site prediction from protein sequence through pretrained language model and multi-task learn…☆19Oct 23, 2025Updated 5 months ago
- 2D portraits of 3D protein structures☆27Mar 12, 2026Updated last week
- ☆22Nov 6, 2024Updated last year
- A fast, alignment-free method for estimating sequence conservation using protein sequence embedding☆19Feb 6, 2023Updated 3 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆45Apr 22, 2023Updated 2 years ago
- A script that computationally designs a vaccine☆18Jan 9, 2022Updated 4 years ago
- ☆24Aug 25, 2023Updated 2 years ago
- Knowledge transfer from high-resource to low-resource programming languages for Code LLMs☆16Aug 12, 2025Updated 7 months ago
- Python Scripts for Bioinformatics☆15Apr 24, 2024Updated last year
- A protein structure dataset that combines 3D atomic coordinates with biophysical and evolutionary properties for every atom in every "cle…☆39Jul 25, 2024Updated last year
- End-to-end deep learning toolkit for predicting protein binding sites and motifs.☆45Feb 26, 2019Updated 7 years ago
- ☆15Feb 17, 2018Updated 8 years ago
- A Python package for extracting protein sequence features☆62Aug 23, 2022Updated 3 years ago
- A deep-learning-based multiple toolkits (DeTool) approach that uses the inputs of enzymes and substrates for biocatalystic tasks.☆10Nov 24, 2023Updated 2 years ago
- The official pytorch implementation of "LightRoseTTA: High-efficient and Accurate Protein Structure Prediction Using an Ultra-Lightweight…☆16Apr 13, 2025Updated 11 months ago
- An official implementation of Protein Representation Learning via Knowledge Enhanced Primary Structure Reasoning☆28Jul 14, 2023Updated 2 years ago
- ☆24Mar 29, 2021Updated 4 years ago
- Transformer for protein function prediction☆33Oct 24, 2024Updated last year
- ResPRE is an algorithm for protein residue-residue contact-map prediction☆21May 20, 2019Updated 6 years ago
- ☆78Feb 11, 2025Updated last year
- BioAutoML: Automated Feature Engineering and Metalearning☆42Nov 4, 2025Updated 4 months ago