Alejandro Flores

tmap2. Tree-based visualization for high-dimensional data. Organizes similar items into interactive tree structures for any high-dimensional dataset.

Chelombus. Clustering and visualization of billions of molecules (or other high-dimensional data). 1 billion, 100K clusters, less than 3 hours, one GPU.

Machine-Learning-From-Scratch. Jupyter Notebook

cheminformatics. This repository contains a series of python scripts using different libraries (pandas, RDKit...) to assist with various task related to chemical structure manipulation, analysis or data processing.

afloresep.github.io. Personal website

Machine-Learning. Python

CNN-Malaria-Detection. CNN for malaria infection detection and species classification

Chelombus. Process a molecular dataset to compute fingerprints, reduce dimensionality using PCA, and output 3D coordinates along with SMILES strings and any available features.

chelombus-package. Chelombus python package

HMDB-clustering. Repository to work on HMDB data for clustering using different techniques such as K-means clustering or TMAP.

isostericGP. Goal of this repository is designing a bioisosterically aware Kernel for Gaussian Process.