Key Scientific Concepts of Review The review provides an overview of the LLMs and their current state-of-the-art application in structure-based drug molecule design and de novo drug design. The different applications of AI-enabled LLMs have been illustrated, such as drug target identification, ...
Furthermore, ChatMOF incorporates the Atomic Simulation Environment (ASE)69library as an integral tool to facilitate diverse operations on material structure data. The ASE library holds considerable importance in the field of materials science due to its capabilities, including atom manipulation, cell in...
In recent years, 3D printing technology or 3D printing models have become a powerful educational tool used in many fields such as medicine, engineering and science. However, research on the integration of these technologies into formal educational environments and the researches examining their effect ...
, two atom harmonic oscillator) were never correctly completed. We do emphasize that the reported accuracy is not what one would expect of the first prompt constructed on-the-fly for a given problem. Rather, they are constructed to answer “how much chemistry do these LLMs know?” These ...
Models are evaluated on the CREPE benchmark with the ITM task. We evaluate on systematicity, we consider 2 types of negative captions: HN-Atom (replacing atoms, such as objects, attributes, or relations with atomic foils) and HN-Comp (composing two negative captions constructed with HN-Atom)...
An atomic constraint, or an atom, is an expression R(x), where R is an n-ary relation and x is an n-tuple of variables from V . Let be a non-empty finite set of Boolean relations, also called a constraint language. A (conjunctive) -formula is a finite conjunction of atoms R1(...
‘all chemical bonds involve the transfer of physical electrons from one atom to another’, ‘atoms are the smallest unit of matter that can exist’, ‘all molecules are polar’, ‘the octet rule applies to all atoms’, ‘volcanoes and earthquakes do not occur in patterns’, ‘all deserts...
Even though the model of a system is seen as the main artifact in MBSE [2], there is also yet no common definition for the term 'system model', which the model is often referred to. In 2015, Hart [3] mentioned, that a system model is '[...] a structured representation that ...
Need to make a Skype call? Or answer one? Sub-functions on the F9 through F11 keys let you do it with ease. Even start a new message with the touch of a button. The ThinkPad X1 Carbon Gen 8 delivers convenience at your fingertips. ...
A line starting with c, followed by two space-separated indices between 1 and n, specified that the atom corresponding to the second index is a contrary of the atom corresponding to the first index. A line starting with r followed by a space-separated list of indices between 1 and n ...