Introduction to Cloud

INTRODUCTION TO CLOUDAlfons Nonell-Canals, PhD

CEO@alfonsnic - [email protected]

MIND THE BYTE, S.L. - BARCELONA SCIENCE PARK

I’M NOT A GURU

Several years ago... BsC in Pharmacy"Less years" ago... PhD in Computational ChemistryFew years ago... Postdoc in Computer Aided Drug Discovery

I’M NOT A GURU

Several years ago... BsC in Pharmacy"Less years" ago... PhD in Computational ChemistryFew years ago... Postdoc in Computer Aided Drug Discovery

I’M NOT A GURU

I’m the CEO of a company specialized in research, develop andprovide scientific cloud solutions for bioinformatics and drugdiscovery

MIND THE BYTE

MIND THE BYTE, S.L. - BARCELONA SCIENCE PARK

MIND THE BYTE

Mind the Byte is a research company specialized providing(cloud) in silico drug discovery solutions

I In silico drug discoveryI Cloud platformsI SaaS Solutions

IN SILICO DRUG DISCOVERY

Different tools, methodologies and techniques of computationalchemistry to improve and rationalize the drug discovery process

I Molecular modellingI Molecular dynamicsI Virtual screeningI Searches and compoundscomparisons

I HomologymodellingI Docking

IN SILICO DRUG DISCOVERY

Different tools, methodologies and techniques of computationalchemistry to improve and rationalize the drug discovery process

High performance computing

HIGH PERFORMANCE COMPUTING

Computing

Storage

Webserver

HIGH PERFORMANCE COMPUTING

Computing

Storage

Webserver

HIGH PERFORMANCE COMPUTING

Computing

Storage

Webserver

HIGH PERFORMANCE COMPUTING

Computing

Storage

Webserver

HIGH PERFORMANCE COMPUTING

Computing

Storage

Webserver

HIGH PERFORMANCE COMPUTING

Computing

Storage

Webserver

HIGH PERFORMANCE COMPUTING

"Classical" approach problems...

I Initial investmentI FlexibilityI MaintenanceI UpgradesI ...

MIND THE BYTE

Mind the Byte is a research company specialized providing cloudin silico drug discovery solutions

WHAT IS THE CLOUD?

Cloud computing is the delivery of computing as a service ratherthan a product, whereby shared resources, software, andinformation are provied to computers and other devices as ametered service over the network, tipically, the Internet.(wikipedia).

*AAS

*aaS: almost everything as a service

I PaaSI SaaSI IaaSI NaaS

*AAS*aaS: almost everything as a service

CLOUD PROVIDERS: PICLOUD

I Cloud environment foryour Python shell

I Uses AmazonWebServices infrastructure

I Scalable (by you and byPiCloud)

I No requires computermanagement

I Pay only for real use

CLOUD PROVIDERS: PICLOUD

Your Python shellimport mathmath.sin(9)0.41211848524175659Your Python shell + PiCloudimport mathimport cloudcloud.setkey(555,’5wfwef8h9fnv89j89gfj34tf’)jid = cloud.call(math.sin,9)cloud.status(jid)cloud.result(jid)0.41211848524175659

CLOUD PROVIDERS

AMAZONWEB SERVICES

Is one of themost important IaaS/PaaS provider. AWS provides acomplete set of cloud computing services including:

I Compute &NetworkingI Storage &CDNI DatabasesI Application ServicesI Deploy &ManagementI AWSMarketplace & Software

COMPUTE &NETWORKING

I Amazon EC2I AutoscalingI Elastic Load Balancing (ELB)I Amazon VPCI Amazon Route 53I AWSDirect Connect

COMPUTE &NETWORKING

I Amazon EC2I AutoscalingI Elastic Load Balancing (ELB)I Amazon VPCI Amazon Route 53I AWSDirect Connect

STORAGE &CDN

I Amazon S3I AmazonGlacierI Amazon EBSI AWS Import/ExportI AWS Storage GatweayI Amazon Cloud Front

STORAGE &CDN

I Amazon S3I AmazonGlacierI Amazon EBSI AWS Import/ExportI AWS Storage GatweayI Amazon Cloud Front

DATABASE

I Amazon RDSI AmazonDynamoDBI Amazon Elastic CacheI Amazon Reshift

DATABASE

I Amazon RDSI AmazonDynamoDBI Amazon Elastic CacheI Amazon Reshift

APPLICATION SERVICES

I Amazon CloudSearchI Amazon SWFI Amazon SQSI Amazon SESI Amazon SNSI Amazon FPSI Amazon Elastic Transcoder

APPLICATION SERVICES

I Amazon CloudSearchI Amazon SWFI Amazon SQSI Amazon SESI Amazon SNSI Amazon FPSI Amazon Elastic Transcoder

DEPLOY &MANAGEMENT

I AWSManagement ConsoleI AWS Identify and AccessManagement (AIM)I Amazon CloudWatchI AWS Elastic BeanstalkI AWSCloudFormationI AWSData PipelineI AWSOpsWorksI AWSCloudHSM

DEPLOY &MANAGEMENT

I AWSManagement ConsoleI AWS Identify and AccessManagement (AIM)I Amazon CloudWatchI AWS Elastic BeanstalkI AWSCloudFormationI AWSData PipelineI AWSOpsWorksI AWSCloudHSM

HOW TO MANAGE THE AWS CLOUD?

AWSConsole

HOW TO MANAGE THE AWS CLOUD?

AWSConsole

HOW TO MANAGE THE AWS CLOUD?

AWSAPI/Libs

I AWS console toolsI PythonI JavaI JavaScriptI RubyI PHPI MobileI Windows & .NET

SUMMARIZING...

Elastic Cloud Compute (EC2)

I Hundreds of available AMIS (images)I Lots of possible "configurations"I Create your own AMIsI Spot Instances to reduce the pricesI Linux/Windows servers

SUMMARIZING...

Elastic Cloud Compute (EC2)

SUMMARIZING...

Elastic Cloud Compute (EC2)

SUMMARIZING...

Autoscaling + Elastic Load Balancing (ELB)

I Automatically scale your resourcesI Different rulesI Send the traffic to the less overloadmachine

SUMMARIZING...

Amazon VPC

I Define your (sub)networksI GatewaysI Isolate computersI VPN to your in house servers

SUMMARIZING...

Amazon S3 - Amazon CloudFront

I Store and/or deliver your static contentI Encrypt and set permissionsI Media streamingI Backups (Glacier)

SUMMARIZING...

RDS

I mySQL/Oracle/SQL ServerI BackupsI Provisioned IOPSI No server maintenance

SOME EXAMPLES

AWS can be used to do all youwant (almost). HPC, webservices,API servers, computational drug discovery, backups,...

API SERVER ON THE CLOUD

WEBSERVICES/WEBAPPS

HPC (I)

HPC (II): HURAKAN

ADVANTAGES

Cloud computing allow us to be always ready for possible spikesin work, to create a big cluster in seconds, skip initialinvestments, to be always up, to avoidmaintenance andhardware replacements,...

THANK YOU

Alfons Nonell-Canals, [email protected] - +34 93 402 09 38 - @alfonsnicMind the Byte, S.L.Barcelona Science ParkC/ Baldiri Reixac, 4-8 - 08028 Barcelona