Collection of machine learning models for predicting toxicity of molecules
☆12May 6, 2020Updated 5 years ago
Alternatives and similar repositories for toxicity-prediction
Users that are interested in toxicity-prediction are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A convolutional neural network predicts the toxicity of a drug based on its molecular structure.☆16Mar 27, 2019Updated 7 years ago
- Course project for CS410. Drug Molecular Toxicity Prediction with GCN + Cloud ML Infra.☆10Apr 6, 2021Updated 5 years ago
- Modeling and prediction of drug toxicity from chemical structure☆24Dec 25, 2020Updated 5 years ago
- Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data☆10Feb 7, 2017Updated 9 years ago
- a universal machine learning model for predicting properties of Chemical Compounds☆11Sep 30, 2019Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 6 years ago
- Codebase to accompany the paper A Look Inside the Black Box: Using Graph-Theoretical Descriptors to Interpret a Continuous-Filter Convolu…☆12May 26, 2021Updated 4 years ago
- Twitter retrosynthesis bot☆13Jul 10, 2022Updated 3 years ago
- A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.☆51May 7, 2025Updated 11 months ago
- ☆11Updated this week
- Machine Learning based toxicity prediction tool for small molecules.☆11Feb 13, 2024Updated 2 years ago
- Supports epidemiological analyses using compositional exposure variables☆10Oct 10, 2025Updated 6 months ago
- ☆17Nov 16, 2018Updated 7 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Jan 17, 2026Updated 3 months 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.
- JavaScript based molecule structure editor☆15Oct 14, 2009Updated 16 years ago
- Img2SMILES generator☆26Aug 29, 2021Updated 4 years ago
- The semi-unsupervised version of the molecule recognition engine, chemtype.☆19Feb 6, 2019Updated 7 years ago
- Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services☆24Oct 18, 2025Updated 6 months ago
- JSME Molecule Editor ipywidget for jupyter notebook☆12Jul 5, 2025Updated 9 months ago
- Optical Chemical Structure Recognition Tool (based on OSRA)☆20Mar 22, 2017Updated 9 years ago
- ☆18Jun 14, 2023Updated 2 years ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆16Oct 21, 2024Updated last year
- Evaluation of physicochemical and ADMET properties as an important stage of the drug design process – prediction, interpretation, and opt…☆17Apr 20, 2025Updated 11 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Datasets for Drug Discovery and Development☆10Aug 22, 2020Updated 5 years ago
- Transformer-based molecular generative model for antiviral drug design☆16Nov 20, 2024Updated last year
- ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge☆35Jul 12, 2023Updated 2 years ago
- ☆13Oct 8, 2021Updated 4 years ago
- Airflow POC demo : 1) env set up 2) airflow DAG 3) Spark/ML pipeline | #DE☆11Dec 19, 2022Updated 3 years ago
- A pretrained BERT model on materials science literature☆77Nov 12, 2021Updated 4 years ago
- UKB RAP Notebooks Genomics contains a collection of examples of how to use UK Biobank Genomics data on the Research Analysis Platform (RA…☆38Updated this week
- Check out the dash visualization at https://dash-drug-explorer.plot.ly/out☆12Dec 26, 2022Updated 3 years ago
- Recognising hand-drawn molecules with neural networks☆35Nov 5, 2022Updated 3 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.
- A list of my scientific publication☆12May 1, 2021Updated 4 years ago
- DefectSegNet for semantic segmentation of defects in Steels☆11Feb 17, 2020Updated 6 years ago
- A deep learning based bioinformatics project on epigenetics in Type 2 Diabetes.☆17Mar 25, 2023Updated 3 years ago
- ☆16Jun 15, 2023Updated 2 years ago
- ABC-Net for molecular image recognition☆18Jan 3, 2022Updated 4 years ago
- ☆12Oct 15, 2023Updated 2 years ago
- Notes written for the AWS Certified Developer - Associate (DVA-C01) certification 2020/2021☆12Dec 24, 2020Updated 5 years ago