8-9 April 2014 • Berlin, Germany

Platform Track

(AA2014E-PLAT01) What's New in Accelrys Enterprise Platform (AEP) 9.2

In this session we will explore some of the new features in the Enterprise Platform 9.2 release. This release extends the reach of the platform with standards like SAML2 Web Single Sign On, RESTful APIs, and more. Learn more about how the platform can fill an important role in your company’s Service Oriented Architecture.

(AA2014E-PLAT02) SAML 2.0 Security in Accelrys Enterprise Platform 9.2

In the latest version of the Enterprise Platform we added support for SAML 2.0 Web SSO. Administrators can establish federated SSO between Enterprise Platform 9.2 and an external identity provider like Ping Federate. This compliments functionality added in prior releases to support SAML 2.0 in SOAP messages. This session describes the new SAML 2.0 capabilities, how to manage them through the Administration Portal and how to program with SAML 2.0 in SOAP-based web services scenarios.

(AA2014E-PLAT03) HPC Scenarios Pros and Cons with Enterprise Platform

Generally Accelrys Pipeline Pilot protocols are executed “by record basis”. There are situations when CPU intensive steps hold the progress of the flow. In those cases Parallel execution can make a difference. During this talk we will first identify the limiting steps and then covering the possible options given by the platform, such Parallel, Cluster or Grid. What and how to set the right parameters on each case, strategies and some benchmark scenarios to speed up the process when possible.

(AA2014E-PLAT04) Patterns for Processing Scientific Big Data with AEP

Accelrys Enterprise Platform efficiently processes very large volumes of scientific data in a single process. This session will examine design patterns for processing big scientific in AEP using parallel processing and distributed data. We will review components and protocol design patterns to scale efficiently in massively parallel environments.

(AA2014E-PLAT05) Diagnostic Tools for Troubleshooting

It would be nice if all of the protocols and applications that you develop worked correctly the first time and continued to work in all situations, but they often don’t and the reasons for failures may not be obvious. Also, some applications require working with opaque and mysterious technologies that are difficult to debug. In this talk, I describe some of the tools available in AEP for developing applications and diagnosing problems, with emphasis on recently developed tools for AEP 9.2.

(AA2014E-PLAT06) Best Practices for Protocol Publication in AEP 9.2

AEP 9.0 includes several new features for protocol template and protocol validation that can form that basis for a robust publication workflow. The protocol validation capability in the admin portal allows administrators to created standard reports on server usage characteristics. In AEP 9.2, we are starting to implement a best-practices workflow for protocol publication that you can use directly from the Pipeline Pilot client. In this session, you will see a demonstration of the new Enterprise Publication features and learn how to use the integrated administration and protocol validation to customize the publication workflow to your organization’s needs.

(AA2014E-PLAT07) Planning your migration from PP 8.5 to AEP 9.2

A new version of AEP is available and I have to install it. What should I do here? What is the recommended method? I got some custom packages, will they be migrated? Should I contact support?

During this talk we will be covering best practices and strategies to migrate 8.5 servers to the latest version. Migrate data and configuration before apply the new install and how to apply old data and components from previous instance into a new install.

(AA2014E-PLAT08) Maximizing Performance in AEP 9.2

This session will focus on getting the best performance from your AEP server. We will look at methodologies for sizing your server and estimating peak load. We will also discuss ways to improve execution time of short running jobs by properly configuring process pools. Finally, we will examine ways to debug your server’s performance.


(AA2014E-APP01) Streamlining Audit and Review in Accelrys ELN

Do auditors need to see a list of experiments submitted for review more than once? Are reviewers clamoring to trace the history of specific content in a table or spreadsheet section? YOU can help! In this session we’ll discover how to mine the analytical power of the Accelrys Enterprise Platform, supplying it audit history data from Vault and performing analysis and reporting defined by YOU to best meet the needs of your users.

(AA2014E-APP02) Discoverant Deployment and Configuration for Effective Global Collaborations

Discoverant is an enterprise application which supports the growing need for global solutions within manufacturing environments. This presentation will cover various Discoverant deployment scenarios which support global collaboration. In addition, features within Discoverant which enable tuning the product for more efficient data retrieval and analysis will also be discussed.

(AA2014E-APP04) Bridging System Migration Gaps with Discoverant to Provide Easy Access to Both Legacy and New Data

As data management processes mature, it is often desirable to migrate from one data accumulation application to another. This creates a challenge for most IT departments: how to smooth the transition for end users by providing them with one-stop shopping for both legacy and new data? This session demonstrates how Discoverant’s Query Pathway functionality can be used to bridge the gaps created by a system migration to provide end users with seamless data access.

(AA2014E-APP05) An Introduction to EKB: What it is for & How to set it up

Accelrys Experiment Knowledge Base (EKB) is a new kind of laboratory informatics product. In this session we will explore why Accelrys built the product, how it differs from and compliments ELN and LIMS, and what types of experimentation benefit most from the EKB. The second part of the talk will look at what it involved in setting up and configuring a typical EKB installation – including the use of the EKB administration panel and AEP protocols with the EKB component collection.

(AA2014E-APP06) Accelrys Notebook Single Sign On with EKB and AEP

When integrating between Accelrys Notebook and EKB both systems can now authenticate against the common Accelrys Enterprise Platform. This gives users a single sign on experience where transitions between the applications are easy. This session will describe and demonstrate how this is done.

(AA2014E-APP07) Insight Deployment and Administration

In this session, we will cover details of how to deploy and administer Insight, including the underlying Accelrys Enterprise Platform (AEP). Topics will include: server set-up and sizing, load-balanced environments, data-source creation, and admin permissions/roles and settings.

(AA2014E-APP08) Accelrys LIMS Tech Talk: Date-Time Model and Global Deployments

Accelrys LIMS is a globally deployed enterprise application that simultaneously supports users from any region or time zone. A typical deployment has actors in many time-zones: centrally located servers along with multiple remote clients. During this session we'll explore how LIMS keeps track of it all.

(AA2014E-APP09) Desktop Integration from Accelrys Notebook web client

The web client of Accelrys Notebook offers desktop integration with various Accelrys and non-Accelrys applications as well as the clipboard and image capture capabilities. This session with describe and demonstrate how this is achieved technically and how you consume it as a web client user on Microsoft Windows as well as Apple OSX.

(AA2014E-APP11) Extending LIMS and LES Using AEP Protocols

In this session we will demonstrate how to configure Accelrys LIMS and LES to leverage AEP Protocols. We will also demonstrate some common solutions to common scenarios.


(AA2014E-DEV01) Pipeline Pilot as a Software Development Environment

In my view, the visual programming environment provided by Pipeline Pilot deserves consideration as a primary choice for developing scientific utilities and applications. Personally, although I also program in C++ and R scripting, I find when I need something done quickly, I can get up and running the fastest in Pipeline Pilot. More importantly, Pipeline Pilot allows me to iteratively refine an initial implementation into a production quality application with impressive speed. In this talk, I make the case for why Pipeline Pilot is my top choice programming environment

(AA2014E-DEV03) Cheminformatics: Building Java Apps with the new Chemistry SDK

The new Chemistry SDK for Java enables developers to write tools and applications that utilize the power of the chemistry engine used within the Accelrys Enterprise Platform.

This session will describe the Chemistry SDK and how it maps (or not) to components within the Chemistry Collection before diving in to an example application (or two) to demonstrate the possibilities. The presenter will provide performance tips and tips to get you started using the extensive API based upon his experience with the chemistry engine.

(AA2014E-DEV04) Building AELN Extensions: Comparing Text Sections

There are many extensions and ways to manage them in AELN. I will guide you through the construction of a relatively simple add in to compare text sections. Along the way we’ll see how to use the Global AddIin extension point, how to create AELN extensions that are well unit tested, talk about performance considerations, and show how to create an ADM “patch” for the extension point that will allow us to deploy it to many packages (possibly spanning many releases of AELN) in a straight-forward manner.

(AA2014E-DEV05) Building Insight Extensions

Insight has multiple extension points, allowing Pipeline Pilot protocol authors to build custom data generators, calculators, visual widgets and exporters. This session will cover each of the extension points in detail, including the use of template protocols and parameter meta-data settings.

(AA2014E-DEV06) Best Practices for Team Development with AEP

Creating a non-trivial application typically requires multiple people with multiple roles – product managers, developers, testers, technical writers, and so on. For the project to succeed, the complexity of this effort relative to the lone developer model needs to be managed. In this talk, I describe some of the methods we follow at Accelrys – and which we recommend you follow – when developing applications on Accelrys Enterprise Platform.

(AA2014E-DEV07) Having it all: Out-of-the-box software with flexibility. EKB’s many extension points

A decade ago, we were talking about “build vs. buy”. In recent years it has become clear that in most cases, neither “Build” or “Buy” are appropriate, and hybrid, or “COTS” solutions have come into favor. Increasingly, a key differentiator when choosing a COTS solution has become the ease and flexibility offered by the software’s configuration and extension platform.

In this session we will look at how a traditionally architected web application (taking EKB as an example) can also provide almost any kind of extension through AEP protocols. We will focus on how – as an application extension platform – AEP provides application developers a new level of freedom to delegate the details of scientific widgets, wizards and reports to subject matter experts – an approach which allows the application developer more time to focus on core IT functionality such as data access, security and core UI.

(AA2014E-DEV08) Accelrys Notebook REST API Development

Accelrys Notebook offers a comprehensive REST API. This API is used from the Accelrys Notebook clients as well as from Pipeline Pilot components but also from customer built integrations. This session will describe the API capabilities and we will dive into code that consumes the API from C# as well as JavaScript.


(AA2014E-PP01) Debugging capabilities in Pipeline Pilot: Featuring Design Mode and Protocol Comparison

To create the highest quality protocols for personal use or to deploy into the organization, it is critical to employ debugging techniques, as is standard in software development organizations. Pipeline Pilot offers many debugging tools, some of which will be covered in this presentation. In particular, we will focus on recently added capabilities, Design Mode and Protocol Comparison.

(AA2014E-PP03) Introducing the Mobile Collection for Pipeline Pilot

Pipeline Protocols can now be executed on iOS mobile devices (iPad, iPhone) using the Mobile Taks App. Using the Mobile Tasks Collection Pipeline Pilot developers can create protocols that are optimized for display on mobile devices and that can take advantage of mobile input services such as image capture, speech recognition, location capture, and barcodes reading. These protocols can either be written and deployed in ScienceCloud or they can be deployed on an on prem server. In this session you will learn how to build such protocols and deploy them to your mobilized work force.

(AA2014E-PP04) Building Web Applications with Pipeline Pilot / AEP

UCB Informatics has a goal to deliver more advanced web applications to its user community. We decided to develop Single Page Applications using AEP and Pipeline Pilot. All the dynamic data are then delivered by AEP REST services. We made this choice because AEP has many advantages such as native SSO, CORS, and the most advanced biological and chemical data manipulation capabilities. AEP is also a strong framework which is easy to extend. UCB Informatics has created basic components regrouped inside a package in order to create advanced web applications. We have also integrated popular JavaScript frameworks such as Backbone and Marionette. With the help of such components, it was possible to develop complex application in two or three weeks. During the presentation we will demonstrate how it is easy to generate a package and some java components. We will demonstrate how to develop a Single Page Application with this custom framework.

(AA2014E-PP05) Accelrys ScienceCloud and Notebook Collection APIs

The ScienceCloud Projects Collection allows developers to create protocols that access and retrieve chemistry and assay related data from ScienceCloud, and to register, update and upload data. Protocols can be run from Pipeline Pilot and other applications such as Web Tasks, ScienceCloud Project Data, and the Mobile App. The collection also allows you to push out notifications for any services deployed on ScienceCloud, and you can write protocols that integrate with the ScienceCloud Notebook capability to capture project IP or to share experiment data with collaborators.

(AA2014E-PP07) Ten Most Important "Don't Dos" with Pipeline Pilot

Attend this session to learn what top 10 most common mistakes Pipeline Pilot developers make. Each of them will be discussed and a solution to avoid them will be proposed. Time will also be provided for questions and to share customer tips and tricks.

(AA2014E-PP08) Ten Most Interesting Support Cases

In Support, we deal every day with customer’s request. In some cases the question seems to be recurrent. Others are misconceptions or capabilities that are not easy to spot. During this talk we will be covering some of the most interesting support cases received and the solution proposed in those scenarios.