相关论文: pyCOFBuilder: A python package for automated creat…
Ptychography has become an indispensable tool for high-resolution, non-destructive imaging using coherent light sources. The processing of ptychographic data critically depends on robust, efficient, and flexible computational reconstruction…
Designing molecules that bind to specific target proteins is a fundamental task in drug discovery. Recent models leverage geometric constraints to generate ligand molecules that bind cohesively with specific protein pockets. However, these…
The increasing importance of Computational Science and Engineering has highlighted the need for high-quality scientific software. However, research software development is often hindered by limited funding, time, staffing, and technical…
This paper introduces EvoCraft, a framework for Minecraft designed to study open-ended algorithms. We introduce an API that provides an open-source Python interface for communicating with Minecraft to place and track blocks. In contrast to…
Summary: Medical researchers obtain knowledge about the prevention and treatment of disability and disease using physical measurements and image data. To assist in this endeavor, feature extraction packages are available that are designed…
bayesian_pyhf is a Python package that allows for the parallel Bayesian and frequentist evaluation of multi-channel binned statistical models. The Python library pyhf is used to build such models according to the HistFactory framework and…
Designing metal-organic frameworks (MOFs) with novel chemistries is a longstanding challenge due to their large combinatorial space and complex 3D arrangements of the building blocks. While recent deep generative models have enabled…
This study introduces Pedophysics, an open-source Python package designed to facilitate solutions for users who work in the field of soil assessment using near-surface geophysical electromagnetic techniques. At the core of this software is…
High resolution peripheral quantitative computed tomography (HR-pQCT) is an imaging technique capable of imaging trabecular bone in-vivo. HR-pQCT has a wide range of applications, primarily focused on bone to improve our understanding of…
As code completion task from function-level to repository-level, leveraging contextual information from large-scale codebases becomes a core challenge. However, existing retrieval-augmented generation (RAG) methods typically treat code as…
Existing 4D synthesis methods primarily focus on object-level generation or dynamic scene synthesis with limited novel views, restricting their ability to generate multi-view consistent and immersive dynamic 4D scenes. To address these…
Systems composed of soft matter (e.g., liquids, polymers, foams, gels, colloids, and most biological materials) are ubiquitous in science and engineering, but molecular simulations of such systems pose particular computational challenges,…
Large Language Models have revolutionized code generation ability by converting natural language descriptions into executable code. However, generating complex code within real-world scenarios remains challenging due to intricate…
Two-dimensional covalent organic frameworks (2D COFs) are an interesting class of 2D materials since their reticular synthesis allows the tailored design of structures and functionalities. For many of their applications the mechanical…
Direct air capture of Carbon Dioxide is a technical solution that does not rely on natural processes to capture CO2 from the atmosphere. In DAC, the filter material is designed to specifically bind CO2 molecules. Hence a high-capacity…
Distributed, large-scale quantum computing will need architectures that combine matter-based qubits with photonic links, but today's software stacks target either gate-based chips or linear-optical devices in isolation. We introduce Optyx,…
We present an object-oriented open-source framework for solving the dynamics of open quantum systems written in Python. Arbitrary Hamiltonians, including time-dependent systems, may be built up from operators and states defined by a quantum…
Software development for Cyber-Physical Systems (CPS) is a sophisticated activity as these systems are inherently complex. The engineering of CPS requires composition and interaction of diverse distributed software modules. Describing both,…
An open source symbolic tool for vector fields analysis 'SymFields' is developed in Python. The SymFields module is constructed upon Python symbolic module sympy, which could only conduct scaler field analysis. With SymFields module, you…
We introduce PyCFTBoot, a wrapper designed to reduce the barrier to entry in conformal bootstrap calculations that require semidefinite programming. Symengine and SDPB are used for the most intensive symbolic and numerical steps…