Kinome-wide structural pocket similarity
☆10Dec 26, 2022Updated 3 years ago
Alternatives and similar repositories for kissim_app
Users that are interested in kissim_app are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 4 years ago
- ☆48Oct 8, 2020Updated 5 years ago
- Kinase-focused fragment library☆69Jan 28, 2026Updated 3 months ago
- ☆13Sep 8, 2021Updated 4 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.
- ☆27Oct 30, 2023Updated 2 years ago
- Examples for use of YANK - getyank.org☆12Sep 20, 2021Updated 4 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Sep 24, 2023Updated 2 years ago
- A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations☆13Feb 20, 2023Updated 3 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆41Jul 6, 2021Updated 4 years ago
- ☆11Oct 1, 2021Updated 4 years ago
- ☆10Apr 20, 2022Updated 4 years ago
- ☆16Jan 5, 2021Updated 5 years ago
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- 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.
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- https://arxiv.org/abs/2102.11439☆21Apr 13, 2021Updated 5 years ago
- Deep Binding Structure RMSD Prediction☆22Mar 19, 2021Updated 5 years ago
- ☆38Feb 28, 2022Updated 4 years ago
- Conformer multi-instance machine Learning☆60Sep 29, 2025Updated 7 months ago
- AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.☆21Apr 5, 2024Updated 2 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- ☆10Nov 10, 2023Updated 2 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Feb 22, 2024Updated 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.
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Jun 22, 2021Updated 4 years ago
- ChEMBL Similarity Search☆19Nov 28, 2020Updated 5 years ago
- Target prediction☆14May 8, 2020Updated 6 years ago
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆38Aug 6, 2021Updated 4 years ago
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 3 years ago
- Argenomic is a quality-diversity (or illumination) algorithm for optimization of small organic molecules.☆17Apr 9, 2024Updated 2 years ago
- ☆11Apr 22, 2024Updated 2 years ago
- Shiny Web Application for Drug Target Identification with Large-Scale Public Binding Affinities Data☆12Sep 19, 2024Updated last year
- ☆30Mar 25, 2021Updated 5 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.
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago
- ☆12Nov 15, 2020Updated 5 years ago
- FragIt main repository☆28Mar 6, 2026Updated 2 months ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Python interface for the RCSB search API.☆20Mar 20, 2024Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Dec 30, 2022Updated 3 years ago
- Implementation of the method proposed in the paper "Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space" by Rob…☆82Apr 13, 2021Updated 5 years ago