In this tutorial, we present an advanced, hands-on tutorial that demonstrates how we use Qrisp to build and execute non-trivial quantum algorithms. We walk through core Qrisp abstractions for quantum ...

GEOM is a dataset with 37 million molecular conformations annotated by energy and statistical weight for over 450,000 molecules. If you use this data, please cite Axelrod, S. and Gómez-Bombarelli, R.

In this tutorial, we explore how to leverage the PyBEL ecosystem to construct and analyze rich biological knowledge graphs directly within Google Colab. We begin by installing all necessary packages, ...

Abstract: Many works have recently proposed the use of Large Language Model (LLM) based agents for performing ‘repository level’ tasks, loosely defined as a set of tasks whose scopes are greater than ...

BaNDyT (Bayesian Network analisis of molecular Dynamic simulation Trajectories): software package that implements the Bayesian Network Modeling specifically attuned to the MD simulation trajectories ...

Commercial organisations commonly use operational research tools to solve vehicle routing problems. This practice is less commonplace in charity and voluntary organisations. In this paper, we provide ...