Scifit

Latest version: v0.1.15

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0.1.16

0.1.15

- [x] Kinetic rates are now computed from model instead of deriving solutions
- [x] Refactored namespace to be more sensical
- [x] Added Chromatogram Solver to detect peaks
- [x] Added Baseline Noise, LOD and LOQ estimation
- [x] Fixed integration bug due to non monotonically increasing limits
- [x] Added peaks surfaces and scaled peak widths wrt time axis
- [x] Added Chromatography quantities of interests (R, H, As, T)

0.1.14

- [x] Validated ODE matrix system against manually writen ODE systems
- [x] Added Brusselator Kinetic and Fit Solver
- [x] Added steady state capability to Kinetic Solver
- [x] Added Quotient Rate figure
- [x] Corrected mislabeling when selecting substances (eg.: A, B instead of E, F)
- [x] Refactoring of solver namespace
- [x] Stabilized precision for derivatives
- [x] Creating report for Kinetic Solver

0.1.13

- [x] Added Activated State Model Kinetic solver:
- [x] Capable of direct, indirect and equilibrium reactions
- [x] Capable of multiple kinetics
- [x] Capable of auto-catalytic kinetics
- [x] Added Reaction Quotient
- [x] Added Conversion Ratio
- [x] Added Concentration velocities and accelerations
- [x] Added Instantaneous Selectivity
- [x] Succeeded to bind KineticSolver w/ FitSolver
- [x] Add reference index for substance
- [x] Levenspiel diagram

0.1.12

- [x] Remove dimension argument from scales
- [x] Started automatic report with MD/LaTeX/PDF
- [x] With Jinja templating
- [x] Binary stream ready for figure and table
- [x] Inline SVG through MD figure
- [x] Added longtable and siunitx into the game
- [x] Added MD/docx report export
- [x] Added MD/HTML report export

0.1.11

- [x] Created mixins to generalize interfaces
- [x] Migrated part of generic FitSolver interface to mixins
- [x] Breaking: Changed FitSolver interface data life cycle to make it compliant with sklearn life cycle
- [x] Updated load, fit, refit definition and behaviours

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