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Containers are an emerging technology that hold promise for improving productivity and code portability in scientific computing. We examine Linux container technology for the distribution of a non-trivial scientific computing software stack…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-06-19 Jack S. Hale , Lizao Li , Chris N. Richardson , Garth N. Wells

Large language models (LLMs), such as Codex and GPT-4, have recently showcased their remarkable code generation abilities, facilitating a significant boost in coding efficiency. This paper will delve into utilizing LLMs for code generation…

Software Engineering · Computer Science 2023-07-31 Daoguang Zan , Bei Chen , Yongshun Gong , Junzhi Cao , Fengji Zhang , Bingchao Wu , Bei Guan , Yilong Yin , Yongji Wang

Any cutting-edge scientific research project requires a myriad of computational tools for data generation, management, analysis and visualization. Python is a flexible and extensible scientific programming platform that offered the perfect…

Quantitative Methods · Quantitative Biology 2008-03-14 Julius B. Lucks

One problem when studying how to find and fix syntax errors is how to get natural and representative examples of syntax errors. Most syntax error datasets are not free, open, and public, or they are extracted from novice programmers and do…

Software Engineering · Computer Science 2019-07-19 Alexander William Wong , Amir Salimi , Shaiful Chowdhury , Abram Hindle

This work introduces Salamandra, a suite of open-source decoder-only large language models available in three different sizes: 2, 7, and 40 billion parameters. The models were trained from scratch on highly multilingual data that comprises…

PromptSource is a system for creating, sharing, and using natural language prompts. Prompts are functions that map an example from a dataset to a natural language input and target output. Using prompts to train and query language models is…

Large Language Models (LLMs) have advanced rapidly as tools for automating code generation in scientific research, yet their ability to interpret and use unfamiliar Python APIs for complex computational experiments remains poorly…

Software Engineering · Computer Science 2025-09-17 Nuno Fachada , Daniel Fernandes , Carlos M. Fernandes , Bruno D. Ferreira-Saraiva , João P. Matos-Carvalho

Large language models (LLMs) have demonstrated remarkable performance on a variety of natural language tasks based on just a few examples of natural language instructions, reducing the need for extensive feature engineering. However, most…

pyscreener is a Python library that seeks to alleviate the challenges of large-scale structure-based design using computational docking. It provides a simple and uniform interface that is agnostic to the backend docking engine with which to…

Quantitative Methods · Quantitative Biology 2022-05-05 David E. Graff , Connor W. Coley

The rapid development of large language models has revolutionized code intelligence in software development. However, the predominance of closed-source models has restricted extensive research and development. To address this, we introduce…

Software Engineering · Computer Science 2024-01-29 Daya Guo , Qihao Zhu , Dejian Yang , Zhenda Xie , Kai Dong , Wentao Zhang , Guanting Chen , Xiao Bi , Y. Wu , Y. K. Li , Fuli Luo , Yingfei Xiong , Wenfeng Liang

The development of large language models (LLMs) has been instrumental in advancing state-of-the-art natural language processing applications. Training LLMs with billions of parameters and trillions of tokens require sophisticated…

PyTorch has ascended as a premier machine learning framework, yet it lacks a native and comprehensive library for decision and control tasks suitable for large development teams dealing with complex real-world data and environments. To…

"PyTorch, Explain!" is a Python module integrating a variety of state-of-the-art approaches to provide logic explanations from neural networks. This package focuses on bringing these methods to non-specialists. It has minimal dependencies…

Machine Learning · Computer Science 2021-07-26 Pietro Barbiero , Gabriele Ciravegna , Dobrik Georgiev , Franscesco Giannini

Large language models (LLMs) have become the foundation of many applications, leveraging their extensive capabilities in processing and understanding natural language. While many open-source LLMs have been released with technical reports,…

This paper introduces the Multi-Genre Natural Language Inference (MultiNLI) corpus, a dataset designed for use in the development and evaluation of machine learning models for sentence understanding. In addition to being one of the largest…

Computation and Language · Computer Science 2018-02-21 Adina Williams , Nikita Nangia , Samuel R. Bowman

We present an ongoing initiative to provide open, very large, high-quality, and richly annotated textual datasets for almost 200 languages. At 30 trillion tokens, this is likely the largest generally available multilingual collection of LLM…

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…

Software Engineering · Computer Science 2025-03-10 Armin Ariamajd , Raquel López-Ríos de Castro , Andrea Volkamer

DeeProb-kit is a unified library written in Python consisting of a collection of deep probabilistic models (DPMs) that are tractable and exact representations for the modelled probability distributions. The availability of a representative…

Machine Learning · Computer Science 2022-12-09 Lorenzo Loconte , Gennaro Gala

The rapid adoption of foundation models (e.g., large language models) has given rise to promptware, i.e., software built using natural language prompts. Effective management of prompts, such as organization and quality assurance, is…

Software Engineering · Computer Science 2026-01-06 Hao Li , Hicham Masri , Filipe R. Cogo , Abdul Ali Bangash , Bram Adams , Ahmed E. Hassan

GitHub repositories consist of various detailed information about the project contributors, the number of commits and its contributors, releases, pull requests, programming languages, and issues. However, no systematic dataset of open…

Software Engineering · Computer Science 2020-12-08 Shreyansh Surana , Smit Detroja , Saurabh Tiwari