andcastillo

brukerconverter

Parse and convert Bruker raw data

ml-binary-search

Binary search algorithm for sorted arrays

ml-hash-table

Open addressing hash table

ml-sparse-matrix

Sparse matrix library

ml-performance

Library providing tools to evaluate the performance of a classifier using for example ROC curves

ml-dataset-iris

Iris flower data set

nmr-formater

ACS, NMR-J formater and range resurrector from ACS string

nmr-range

ACS, NMR-J formater and range resurrector from ACS string

generator-mljs-packages

Generator for ml.js packages

generator-cheminfo-js

Generator for cheminfo-js packages

ml-cart

CART decision tree algorithm

ml-conrec

JavaScript implementation of the CONREC contouring algorithm

ml-disjoint-set

Efficient disjoint-set data structure implementation

ml-matrix-convolution

Matrix convolution: It offers the direct and the fourier transform convolution

ml-combinations

Generate all possible unordered samples of size m, without replacement, from a set of n objects

ml-matrix-peaks-finder

The peak picking routines for 2D arrays. This library looks for the local maxima of the given input matrix. The input matrix has to be specified as a single vector.

ml-cross-validation

Cross validation utility for mljs classifiers

ml-kernel-gaussian

The gaussian (radial basis function) kernel

ml-kernel-sigmoid

Sigmoid (hyperbolic tangent) kernel

ml-simple-clustering

Extracts the isolated sub-blocs of matrix

ml-optimization

Optimization methods library

nmr-predictor

NMR chemical shift predictor

ml-floyd-warshall

Algorithm for finding shortest paths in a weighted graph with positive or negative edge weights (but with no negative cycles)

ml-arrayxy-uniquex

Function to sum the y values if the x values are equals. The x array has to be ordered.

ml-arrayxy-closestx

Get the closest point for a specific abscissa value