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If you are interested in participating in this working group, please sign up for the listserve HERE
Upcoming Meeting
one of our listserves. Due to potential firewall issues, we have lists hosted by Rice University and Northeastern University. Announcements go to both lists.
Tech Talks are returning in Fall 2024 !
At this time, we are accepting requests for potential topics for Tech Talks this Fall. To request topics, please use this form.
Here are the current topics that we have planned. More will be added over the summer.
- How to estimate time scales and rates in simplified models
- How to interpret energetic scales in simplified and coarse-grained models
Tech Talks - 2023
Each talk has files made available for participants. See our Github repo for all supporting documents.
- October 4 Advanced visualization with VMD, Esteban Dodero-Rojas (Rice Univ)
- October 11 Introduction to using and creating containers for Docker and Singularity, Prof. Paul Whitford (Northeastern U)
- October 18 Becoming a pro beginner with Git, Dr. Antonio Oliveira (Rice U)
- October 25 Becoming competent with Git, Dr. Antonio Oliveira (Rice U)
- November 1 HPC and cluster computing best practices, Dr. Vinicius Contessoto (Rice U)
- November 8 Thread-based parallelism with OpenMP, Prof. Paul Whitford (Northeastern U)
- November 15 MPI-based parallelism, Prof. Paul Whitford (Northeastern U)
- November 29 Parallel computing with Python, Dr. Vinicius Contessoto (Rice U)
- December 6 Introduction to Structure-based models, SMOG 2 and OpenSMOG, Prof. Ronaldo Oliveira (Rice U)
- December 13 Advanced techniques with SMOG models, Esteban Dodero-Rojas (Rice U)
Tech Talks - 2021
April 21, 2021 - Wei Lu - Building a coarse-grained force field with openMM
May 5, 2021 - Carlos Bueno
May 19, 2021 - Vinicius Contessoto and Antonio Junior
June 2, 2021 - Iryna Zaporozhets - Parameterization of coarse-grained protein models based on experimental data
June 16, 2021 - Paul Whitford - Basic HPC Considerations
September 22, 2021 - Paul Whitford - Visualization TipsOur next meeting will be May 5, at 9am EST. To ensure participation from members at all sites, we will be hosting the meeting via Zoom. At the next meeting, Vinicius Contessoto and Antonio Junior (Onuchic Group) will be discussing how they have been porting genome models to openMM. Carlos Bueno (Wolynes Group) will be discussing how to share openMM tools via conda. Paul Whitford will be presenting a discussion on High Performance Computing techniques and best practices.