Want Drugs? Use Python

نویسندگان

  • Michal Nowotka
  • George Papadatos
  • Mark Davies
  • Nathan Dedman
  • Anne Hersey
چکیده

We describe how Python can be leveraged to streamline the curation, modelling and dissemination of drug discovery data as well as the development of innovative, freely available tools for the related scientific community. We look at various examples, such as chemistry toolkits, machine-learning applications and web frameworks and show how Python can glue it all together to create efficient data science pipelines.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

VarPy: A Python library for volcanology and rock physics data analysis

VarPy is an open-source toolbox which provides a Python framework for analysing volcanology and rock physics data. It provides several functions, which allow users to define their own workflows to develop models, analyses and visualisations. The goal of the VarPy library is to accelerate the uptake of computational methods by researchers in volcanology and rock physics. It does this via two mec...

متن کامل

Sunpy: Python for Solar Physics. an Implementation for Local Correlation Tracking

Python programming language has experienced a great progress and growing use in the scientific community in the last years as well as a direct impact on solar physics. Python is a very mature language and almost any fundamental feature you might want to do is already implemented in a library or module. SunPy is a common effort of, using the advantages of Python, developing tools to be applied f...

متن کامل

TF.Learn: TensorFlow's High-level Module for Distributed Machine Learning

TF.Learn is a high-level Python module for distributed machine learning inside TensorFlow (Abadi et al., 2015). It provides an easy-to-use Scikit-learn (Pedregosa et al., 2011) style interface to simplify the process of creating, configuring, training, evaluating, and experimenting a machine learning model. TF.Learn integrates a wide range of state-ofart machine learning algorithms built on top...

متن کامل

NNBlocks: A Deep Learning Framework for Computational Linguistics Neural Network Models

Lately, with the success of Deep Learning techniques in some computational linguistics tasks, many researchers want to explore new models for their linguistics applications. These models tend to be very different from what standard Neural Networks look like, limiting the possibility to use standard Neural Networks frameworks. This work presents NNBlocks, a new framework written in Python to bui...

متن کامل

User interfaces for computational science: a domain specific language for OOMMF embedded in Python

Computer simulations are used widely across the engineering and science disciplines, including in the research and development of magnetic devices using computational micromagnetics. In this work, we identify and review different approaches to configuring simulation runs: (i) the re-compilation of source code, (ii) the use of configuration files, (iii) the graphical user interface, and (iv) emb...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:
  • CoRR

دوره abs/1607.00378  شماره 

صفحات  -

تاریخ انتشار 2016