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In recent years, trends towards studying simulated games have gained momentum in the fields of artificial intelligence, cognitive science, psychology, and neuroscience. The intersections of these fields have also grown recently, as…

We present results of testing of the ability of eleven popular scoring functions to predict native docked positions using a recently developed method [1] for estimation the entropy contributions of relative motions to protein-ligand binding…

Strong foundations in basic AI techniques are key to understanding more advanced concepts. We believe that introducing AI techniques, such as search methods, early in higher education helps create a deeper understanding of the concepts seen…

Startups seek to create highly scalable business models. For startups, growth is thus vital. Growth hacking is a marketing strategy advocated by various startup practitioner experts. It focuses on using low cost practices while utilizing…

With the development of computer-assisted techniques, research communities including biochemistry and deep learning have been devoted into the drug discovery field for over a decade. Various applications of deep learning have drawn great…

In recent years, machine learning (ML) methods have emerged as promising alternatives for molecular docking, offering the potential for high accuracy without incurring prohibitive computational costs. However, recent studies have indicated…

Creating games together is both a playful and effective way to develop skills in computational thinking, collaboration, and more. However, game development can be challenging for younger developers who lack formal training. While teenage…

Geospatial reasoning requires solving image-grounded problems over the complex spatial structure of a scene. However, developing this capability is hindered by the cost of annotating a vast and combinatorial question space. We propose GeoX,…

While generative models have recently become ubiquitous in many scientific areas, less attention has been paid to their evaluation. For molecular generative models, the state-of-the-art examines their output in isolation or in relation to…

This paper introduces MazeBase: an environment for simple 2D games, designed as a sandbox for machine learning approaches to reasoning and planning. Within it, we create 10 simple games embodying a range of algorithmic tasks (e.g. if-then…

Structural flexibility and/or dynamic interactions with other molecules is a critical aspect of protein function. CryoEM provides direct visualization of individual macromolecules sampling different conformational and compositional states.…

Advances in molecular technologies underlie an enormous growth in the size of data sets pertaining to biology and biomedicine. These advances parallel those in the deep learning subfield of machine learning. Components in the differentiable…

Testing a video game is a critical step for the production process and requires a great effort in terms of time and resources spent. Some software houses are trying to use the artificial intelligence to reduce the need of human resources…

It has been arduous to assess the progress of a policy learning algorithm in the domain of hierarchical task with high dimensional action space due to the lack of a commonly accepted benchmark. In this work, we propose a new light-weight…

Proteins are macromolecules that mediate a significant fraction of the cellular processes that underlie life. An important task in bioengineering is designing proteins with specific 3D structures and chemical properties which enable…

This paper outlines the design vision and planned evolution of Blexer v3, a modular and AI-driven rehabilitation ecosystem based on serious games. Building on insights from previous versions of the system, we propose a new architecture that…

In this paper we revisit some classic board games like Pachisi or the Game of Gosse. The main contribution of the paper is to design and add some functionalities to the games in order to transform them in serious games, that is, in games…

2048 is an engaging single-player, nondeterministic video puzzle game, which, thanks to the simple rules and hard-to-master gameplay, has gained massive popularity in recent years. As 2048 can be conveniently embedded into the…

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

Structure based ligand discovery is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid such procedures. Deep learning has…