jamesacodgers / bootstrapPLS
Code for quantifying the uncertainty of a PLS prediction using bootstrap prediction.
☆10Updated last year
Alternatives and similar repositories for bootstrapPLS:
Users that are interested in bootstrapPLS are comparing it to the libraries listed below
- Python library for chemometric data analysis☆31Updated 2 years ago
- Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).☆62Updated 4 months ago
- Integrate your chemometric tools with the scikit-learn API 🧪 🤖☆50Updated 3 weeks ago
- SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python☆137Updated this week
- Smart Stirrer☆10Updated 4 years ago
- Component Identification with Raman Spectroscopy Made Easy☆14Updated last month
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆64Updated last week
- ☆33Updated 2 years ago
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆41Updated 5 months ago
- A tool to optimize real world problems☆88Updated this week
- Repository containing code for analysis of Raman and IR spectra datasets☆26Updated 4 years ago
- ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software packa…☆20Updated 2 years ago
- Development repository for Kipet.☆20Updated 2 years ago
- Experimental Design via Bayesian Optimization☆127Updated 2 years ago
- Optimising chemical reactions using machine learning☆125Updated 5 months ago
- Predicting molecular structure from Infrared (IR) Spectra☆19Updated 8 months ago
- ☆26Updated 2 years ago
- Automatic materials characterization of infrared spectra using convolutional neural networks☆12Updated last year
- Code to build a probabilistic predictive model for HSP☆36Updated 2 years ago
- Better Data Splits for Machine Learning☆73Updated this week
- A curated list of online chemical engineering education resources☆141Updated 2 months ago
- Algorithmic process optimization and AI experiment design☆30Updated 4 months ago
- Quantum mechanical descriptor generation☆53Updated 4 years ago
- PSA simulation code☆13Updated 2 years ago
- A repository with examples on essential knowledge of chemical engineering.☆50Updated last month
- Hybrid Modeling Framework☆23Updated 2 years ago
- Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions☆29Updated 3 years ago
- ☆28Updated 6 months ago
- LVPP sigma-profile database + COSMO-SAC parametrizations☆60Updated this week