KDS software for Kinase Drug Selectivity
☆11Jun 8, 2023Updated 2 years ago
Alternatives and similar repositories for KDS
Users that are interested in KDS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆14Jul 5, 2022Updated 3 years ago
- ☆26Apr 2, 2024Updated 2 years ago
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Jan 27, 2025Updated last year
- Models trained on the SPICE dataset☆10Sep 23, 2022Updated 3 years ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆46Dec 8, 2023Updated 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.
- GNN enabled surrogate modeling for chemical docking☆16Nov 3, 2022Updated 3 years ago
- 16S pipeline using qiime2 created with snakemake☆12May 14, 2026Updated last week
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆13Jun 3, 2025Updated 11 months ago
- Design a local part of a protein☆20Jan 12, 2023Updated 3 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- ☆13Dec 5, 2024Updated last year
- ☆15Dec 4, 2023Updated 2 years ago
- ☆17Sep 4, 2023Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated last year
- 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.
- ☆18Aug 5, 2023Updated 2 years ago
- ☆14Jul 7, 2024Updated last year
- ☆22Oct 2, 2024Updated last year
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆31Mar 4, 2026Updated 2 months ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆37Oct 3, 2022Updated 3 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- ☆11Oct 1, 2021Updated 4 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Sep 24, 2023Updated 2 years ago
- 3D-CNN based water position prediction method☆11Nov 20, 2023Updated 2 years 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.
- App for serotonergic targets☆12Jan 8, 2026Updated 4 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆60Mar 3, 2026Updated 2 months ago
- Extended version of the Chemprop framework that allows the calculation of atomistic and molecular Jazzy/Kallisto features.☆16Jan 10, 2025Updated last year
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆97Apr 11, 2026Updated last month
- SIEVE-Score: interaction energy-based virtual screening method based on random forest.☆14Sep 15, 2023Updated 2 years ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated last year
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆18Mar 8, 2023Updated 3 years ago
- a deep learning tool for the classification of biological sequences☆18May 13, 2026Updated last week
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years 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.
- Source code and data repository for "Ensembles of knowledge graph embedding models improve predictions for drug discovery"☆20Jan 17, 2024Updated 2 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers☆15Nov 8, 2023Updated 2 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- Cryptic pocket prediction using AlphaFold 2☆25Nov 27, 2022Updated 3 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Jun 26, 2024Updated last year
- ☆12Oct 9, 2024Updated last year