The High Throughput Experimentation Analyzer (HiTEA) modules as described in "Probing the Chemical 'Reactome' with High Throughput Experimentation Data" (King-Smith et al.).
☆12Feb 12, 2024Updated 2 years ago
Alternatives and similar repositories for HiTEA
Users that are interested in HiTEA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆15Jun 8, 2022Updated 4 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆30Aug 4, 2026Updated 2 months ago
- Mixed Variable Multi-Objective Optimisation☆20Jul 9, 2021Updated 5 years ago
- Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.☆132Jan 14, 2026Updated 8 months ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 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.
- ☆14Oct 10, 2024Updated 2 years ago
- ☆20Mar 24, 2025Updated last year
- ☆25Dec 17, 2025Updated 9 months ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆49Mar 2, 2021Updated 5 years ago
- Toolkit for Chemical Reaction Extraction from Scientific Literature (JCIM 2021)☆86Mar 26, 2022Updated 4 years ago
- ☆13May 21, 2023Updated 3 years ago
- Experimental Design via Bayesian Optimization☆180Mar 31, 2026Updated 6 months ago
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆25Oct 25, 2024Updated last year
- Calculate Sterimol Parameters from Sructure Input/Output Files☆28Sep 26, 2026Updated 2 weeks 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.
- ☆11Oct 1, 2025Updated last year
- Reinforcement learning prioritizes general applicability in reaction optimization☆23Mar 7, 2025Updated last year
- ☆22Updated this week
- Collect all media resources in one telegram bot☆11Aug 3, 2023Updated 3 years ago
- DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …☆64Oct 2, 2026Updated last week
- A repository for evaluating single-step retrosynthesis algorithms☆21Jul 23, 2024Updated 2 years ago
- Deterministic classification, naming, and analysis of chemical reactions☆57Aug 10, 2026Updated 2 months ago
- Yandex.Praktikum Data Engineering workshop materials☆12Feb 18, 2023Updated 3 years ago
- code for ZStruct-2☆17Aug 31, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆15Sep 14, 2021Updated 5 years ago
- Automated Complex Generator☆16Dec 16, 2024Updated last year
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆44Sep 5, 2024Updated 2 years ago
- Workshop that will take you from Graph Neural Networks (GNNs) to Transformers, architectures which have led to numerous breakthrough achi…☆12Sep 11, 2023Updated 3 years ago
- XTensions built using Python 3.7 for Imaris software☆12Apr 24, 2026Updated 5 months ago
- ☆117Apr 14, 2018Updated 8 years ago
- ICLR 2023: Learning to Extrapolate: A Transductive Approach☆11Aug 15, 2023Updated 3 years ago
- Jupyter book and content for "Machine Learning for Molecular Dynamics" course☆13Apr 7, 2022Updated 4 years ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆102Sep 16, 2026Updated 3 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- The computational platform u-signal3D defines a shape-invariant representation of the spatial scales of molecular organization at the cel…☆11Oct 1, 2026Updated last week
- Contains code for Siamese Recurrent Neural Network with Self-Attention for Bioactivity Prediction☆10Mar 16, 2023Updated 3 years ago
- ☆11Jan 5, 2022Updated 4 years ago
- VISION is a sophisticated software tool specifically designed to analyze and process biological and microscopic images.☆10Jul 25, 2024Updated 2 years ago
- ☆16Apr 16, 2025Updated last year
- ☆24Aug 24, 2023Updated 3 years ago
- ☆114Jul 11, 2024Updated 2 years ago