MolSSI
  • People
    • Board of Directors
    • Science & Software Advisory Board
    • MolSSI Software Scientists
    • MolSSI Associates
  • Fellowships
    • The MolSSI Software Fellowship Program
    • All MolSSI Software Fellows
    • 2021-A Seed Software Fellows
    • 2020-B and COVID-19 Seed Software Fellows
    • 2020-B Investment Software Fellows
    • 2020-A Seed Software Fellows
    • 2020-A Investment Software Fellows
  • Workshops
    • 2020
      • Open Source Software for Rare-Event Sampling Strategies
      • MolSSI/BioExcel Workshop on Workflows in Biomolecular Simulations
      • Biennial Conference on Chemical Education (BCCE)
      • MolSSI Driver Interface (MDI)
    • 2019
      • Stochastic Approaches to Electronic Structure Calculations
      • Software for Advanced Potential Energy Surfaces
      • Summer School and Workshop on Parallel Computing in Molecular Sciences
      • The Open Molecular Science Cloud
      • Molecular Dynamics Software Interoperability
      • Rovibrational Molecular Spectroscopy
      • Machine Learning and Chemistry: Challenges on the Way Forward
      • A Science Gateway for Atomic and Molecular Physics
    • 2018
      • Science Gateways Community Institute
      • NSF SSE/SSI PIs Workshop
      • Modular Software Infrastructure for Excited State Dynamics
      • Tinker Modeling Software
      • Python for Quantum Chemistry and Materials Simulation
      • Solving or Circumventing Eigenvalue Problems in Electronic Structure Theory
      • Summer School and Workshop Parallel Computing in Molecular Sciences
      • Workflows in Biomolecular Simulations
    • 2017
      • Computational Materials Science
      • Biomolecular Simulation
      • Core Software Blocks in Quantum Chemistry
      • Interoperability
      • Excited States
      • Coding Solvation
      • Best Practices in Molecular Simulation
      • Biomolecular Workflows
      • Quantum Mechanics Schema
    • 2016
      • Cyberinfrastructure and the Molecular Sciences
  • Education
    • MolSSI Education Resources
    • MolSSI Best Practices
    • Summer Schools
    • Coding Workshop @ MERCURY
  • News & Events
  • Software
    • Software Projects
    • COVID-19 Hub
    • MolSSI@Github
    • Basis Set Exchange
    • MolSSI Integral Reference Project
    • QCArchive
    • QCSchema
    • MolSSI Driver Interface
    • CMS Cookiecutter
  • Resources
    • Frequently Asked Questions (FAQs)
    • Publications from the MolSSI
    • Community Code Database
    • MolSSI Community Code Partners
    • Job Opportunities in the Molecular Sciences
    • Requesting a Letter of Collaboration
  • Subscribe
MolSSI Workshop: Biomolecular Workflows

MolSSI Workshop: Biomolecular Workflows

July 21, 2017 5699 views

Date: September 12th-13th, 2017 

Organizers: Prof. T Daniel Crawford (MolSSI), Dr. Daniel G. A. Smith (MolSSI), Dr. Aaron Virshup (Autodesk), Merry Wang (Autodesk), Dr. John Chodera (MSKCC)

Location: Autodesk Gallery, San Francisco, California

Distributed Workflows for Biomolecular Simulations is an invite-only, innovation-driven workshop hosted by MolSSI and Autodesk Life Sciences for academic and industry experts on how cloud-based workflow technologies will vastly accelerate pipelines from academic research to industrial discovery.

Background

Workflow technologies simplify the processes of developing reliable computational methods, deploying reproducible software, exploiting scalable computing, and sharing standardized best practices. With increasing interest in such systems from academic, industrial, and computing groups, this two-day workshop will bring together a diverse group of experts to catalyze and develop modern workflow systems for biomolecular simulation.

Workshop

Through industry experts and academic leaders, attendees will gain an overview of modern distributed workflow systems and its impact on related areas of biomolecular simulation. The Workshop will also facilitate collaborative exploration and discussion of technical requirements, interoperability standards, and detailed technical specifications for biomolecular drug design workflows. This will be supported by a open dialogue between computing providers, software developers, industry experts, and academic leaders in a flexible pace guided by topics that evolve through discussion. A detailed schedule can be found here.

Logistics

The 2017 MolSSI Workflows Workshop will be held September 12-13, 2017 at the Autodesk Gallery San Francisco, CA.  Recommended hotels are:

  • Harbor Court Hotel – Best rates
  • Le Meridien  – 0.5 miles from workshop
  • Hotel Zetta – 1.0 miles from workshop
  • The Lodge at Tiburon – Ferry leave right outside the hotel and arrives near the workshop

Upcoming Events

View All Events



Contact Us

E: info@molssi.org
P: (540) 231-4457
Location: 1880 Pratt Drive, Suite 1100
Blacksburg, VA 24060

Subscribe to our mailing list

Board of Directors

T. Daniel Crawford (Virginia Tech)
Cecilia Clementi (Rice University)
Robert Harrison (Stony Brook University)
Teresa Head-Gordon (U.C. Berkeley)
Shantenu Jha (Rutgers University)
Anna Krylov (U. Southern California)
Theresa Windus (Iowa State University)
Dominika Zgid (U. Michigan)

Connect with us

Visit Us On FacebookVisit Us On LinkedinVisit Us On Twitter

NSFLogoThe MolSSI is supported by the U.S. National Science Foundation through grant number OAC-1547580.

© 2020 The Molecular Sciences Software Institute, Designed by FourDesign
Close Window

Loading, Please Wait!

This may take a second or two. Loading, Please Wait!