Performing automl on ddmut pipeline

Various classifiers using bayesian networks, for Knowledge Representation class at UNIBO

Statistical comparison of multiple algorithms

Grammar-guided genetic programming (G3P)

DeepSpeed is a deep learning optimization library that makes distributed training and inference easy, efficient, and effective.

Stand Alone version of ConSurf with detailed tutorial - (installation + database + usage)

Understanding Deep Learning - Simon J.D. Prince

Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

A powerful and flexible machine learning platform for drug discovery

BayeshERG Official Repository

This repository contains the inference, model and tokenizer code for the Molecular Fingerprinting model MFBERT.

Code and data for QMO https://arxiv.org/abs/2011.01921

A collection of research papers and software related to explainability in graph machine learning.

Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).

An integrated negative design python library for desirable HTS/VS database design

PyImpetus is a Markov Blanket based feature subset selection algorithm that considers features both separately and together as a group in order to provide not just the best set of features but also…