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Encoding MS/MS spectra using formula transformers for inferring molecular properties

Code Repository for Machine Learning with PyTorch and Scikit-Learn

Python Toolkit for Mass Spectrometry

Materials for the Learn PyTorch for Deep Learning: Zero to Mastery course.

Ray is an AI compute engine. Ray consists of a core distributed runtime and a set of AI Libraries for accelerating ML workloads.

Advanced evolutionary computation library built directly on top of PyTorch, created at NNAISENSE.

Full Course on PyAutoGUI including projects from Code of the Future's YouTube channel!

Software package for computer aided synthesis planning

Source code of PyGAD, a Python 3 library for building the genetic algorithm and training machine learning algorithms (Keras & PyTorch).

Files for the Python Workout book

R package for Analyzing Lipidomic Datasets

Web application and REST Api for parsers for the Grammars on succinct lipid nomenclature (Goslin).

My implementation of the original GAT paper (Veličković et al.). I've additionally included the playground.py file for visualizing the Cora dataset, GAT embeddings, an attention mechanism, and entr…

Repository containing all code for the videos on the Reducible YouTube channel

A community-maintained Python framework for creating mathematical animations.

Animation engine for explanatory math videos

pymzML - an interface between Python and mzML Mass spectrometry Files

Goslin is the Grammar on succinct lipid nomenclature.

Code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space

Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

Graph-based genetic algorithm

Code from Youtube Tutorial Series

A collection of algorithms and data structures

An introduction to network analysis and applied graph theory using Python and NetworkX

Uniform Manifold Approximation and Projection

Hierarchical Uniform Manifold Approximation and Projection