We present a high-throughput, end-to-end pipeline for organic crystal structure prediction (CSP)─the problem of identifying the stable crystal structures that will form from a given molecule based ...

A new method, protein–ligand QM-VM2 (PLQM-VM2), to calculate protein–ligand binding free energies by combining mining minima, a statistical mechanics end-point-based approach, with quantum mechanical ...

The principle of the selection operation relies on the termination of the non-domination rank and the crowding distance obtained respectively by the Non-dominated Sort Algorithm and the ...

We propose a distributed QoE-oriented computation offloading (QECO) algorithm based on deep reinforcement learning (DRL) that empowers mobile devices to make their offloading decisions without ...

Sometimes it is inconvenient to perform computations for a JAVA project using the database, hence the data computation layer of Java is used. In this essay, we take a deep dive into four types of data ...

The methodology comprises a genetic algorithm (GA) for initial model parameter estimation and an approximate Bayesian computation (ABC) algorithm to refine the estimates, together with a simulation ...

What should we do then? esProc SPL is here to help you. esProc SPL is a pure Java open-source computing engine that provides database independent but more powerful computing power than SQL. esProc SPL ...

The delay and queuing situations are considered comprehensively in the formulated optimization problem, which can be solved by the proposed deep deterministic policy gradient-based computation ...