☆10Apr 22, 2019Updated 7 years ago
Alternatives and similar repositories for Automated-framework-for-QSAR-model-building
Users that are interested in Automated-framework-for-QSAR-model-building are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Modeling framework for eTRANSAFE project☆13Aug 6, 2025Updated 9 months ago
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 5 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Jan 28, 2022Updated 4 years ago
- Project for integration of OPS and the Knime workflow engine☆14Aug 12, 2015Updated 10 years ago
- Meta-analysis toolbox for basic research applications. Developed in MATLAB R2016b.☆13Apr 21, 2019Updated 7 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 6 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- ☆12Jun 3, 2019Updated 6 years ago
- PIDGINv4☆13Mar 15, 2022Updated 4 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- A library for writing chemical and biological data management systems☆10Oct 24, 2019Updated 6 years ago
- A Python wrapper for alvaDesc software☆10Oct 15, 2024Updated last year
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Nov 8, 2020Updated 5 years ago
- Program to create tautomers and ionisation states relevant to physiological pH.☆10May 8, 2017Updated 9 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A lightweight visualization tool for molecules and their properties☆15Sep 19, 2017Updated 8 years ago
- Network-based Drug Repurposing for Human Coronavirus☆41Feb 4, 2020Updated 6 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Sep 29, 2020Updated 5 years ago
- Code for "De novo molecular design with chemical language models"☆13Nov 10, 2021Updated 4 years ago
- 本项目是一个由我个人开发的python机器学习项目,数据在PCA降维后基于ELM、SVR、随机森林、LSTM的北京游客预测,对比了四种机器学习算法的预测效果。☆13Jun 27, 2025Updated 11 months ago
- ☆16May 11, 2016Updated 10 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- Argenomic is a quality-diversity (or illumination) algorithm for optimization of small organic molecules.☆17Apr 9, 2024Updated 2 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Nov 17, 2022Updated 3 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.
- ☆34Dec 12, 2024Updated last year
- PyMOL Plugin for displaying polar contacts☆20Mar 11, 2019Updated 7 years ago
- Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data☆62Feb 23, 2022Updated 4 years ago
- ☆13Jul 11, 2017Updated 8 years ago
- An implementation of the Solubility Forecast Index (SFI)☆24Oct 6, 2025Updated 7 months ago
- ☆14Oct 16, 2022Updated 3 years ago
- ☆18Apr 11, 2023Updated 3 years ago
- ☆16Oct 28, 2019Updated 6 years ago
- AI-powered Virtual Screening☆90Jun 23, 2023Updated 2 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.
- Benchmark interpretation of QSAR models☆14Aug 12, 2022Updated 3 years ago
- ☆11Oct 1, 2021Updated 4 years ago
- COVID-19 Drug Design using Generative RNN-LSTM☆14Sep 14, 2020Updated 5 years ago
- ☆13Nov 29, 2024Updated last year
- Perform probe-guided blind docking with FTMap and DOCK6☆10Apr 25, 2023Updated 3 years ago
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 12 years ago
- Emap2sec is a computational tool to identify protein secondary structures☆16Jul 31, 2024Updated last year