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Talks and job opportunities – AI for Molecules

Dear OARC Users, 

I would like to inform you about the seminars and job openings in the field of applying AI methods to molecular science that might be interesting to some of the researchers and students who are working in this area. 

 The two job openings can be internships or full time. If you are interested, please contact Xinyu Que <xinyu.que@tandemai.com>  and Joey Lubin <joseph.lubin@tandemai.comfor queries and questions. 

Below you will find relevant information about the seminars and the job postings. Please distribute this message to anyone who might be interested. 

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Talk 1 – IQB, Rutgers

Time: Wednesday, March 29, 2023 at 12.00 PM
Title: OpenFold: Lesson Learned and Insights Gained from Rebuilding and Retraining AlphaFold2
Speaker: Dr. Mohammed AlQuraishi, Columbia University
Zoom

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Talk 2: Chemistry, Rutgers

Time: Tuesday, April 4, 2023 at 12.00 PM
Title: There’s no free lunch, but you can get a discount – applying active learning in drug discovery
Speaker: Dr. Pat Walters, Chief Data Officer, Relay Therapeutics
Zoom

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Job 1: HPC application engineer/DevOp (intern/full-time)

Qualifications

BS/MS in Computer Science or related quantitative field with 6-8 years of relevant experience (or Ph.D. in one of these fields with at least 5 years of relevant experience)

Hands-on experience with developing efficient scientific software on HPC systems

Deep understanding of HPC computing systems: network, processors, memory subsystems, and accelerators

Profound experience with analyzing and optimizing the performance of scientific applications on heterogeneous systems

Experience with MPI, OpenMP, and CUDA

Expertise in programming language(s) like Python and C/C++

Familiarity with machine learning, physics-based simulation, and scientific workflow management on HPC systems

Excellent written and oral communication skills, including an ability to explain complex ideas to non-specialists

Responsibilities

The Sr./Principal HPC Application Engineer will lead the performance optimization effort and contribute to the development of efficient large-scale scientific workflows for accelerating drug discovery

Collaborate closely with a multidisciplinary team of computational and medicinal chemists, machine learning engineers, biophysicists, and biologists to build a world-class computational drug discovery platform

Design, implement and deploy best-in-class scientific computational workflows that are computationally efficient and robust in heterogeneous computing environments

Optimize computational workflows performance around on-prems HPC systems at scale

Explore workflow performance acceleration opportunities to help define future HPC system requirements

Benefits

Because of this, we are prepared to offer a competitive salary, stock options, and a wide range of benefits that include healthcare, a 401k, pre-tax commuter benefits, and a flexible work schedule

Job description:

About TandemAI TandemAI is an advanced technology company dedicated to reinventing drug discovery infrastructure. The company integrates proprietary AI-driven, high-performance computation with its efficient, large-scale in-house wet lab operations to deliver a turnkey drug discovery solution About the Role The Sr./Principal HPC Application Engineer will lead the performance optimization effort and contribute to the development of efficient large-scale scientific workflows for accelerating drug discovery. You will: • Collaborate closely with a multidisciplinary team of computational and medicinal chemists, machine learning engineers, biophysicists, and biologists to build a world-class computational drug discovery platform • Design, implement and deploy best-in-class scientific computational workflows that are computationally efficient and robust in heterogeneous computing environments • Optimize computational workflows performance around on-prems HPC systems at scale Explore workflow performance acceleration opportunities to help define future HPC system requirements Qualifications • BS/MS in Computer Science or related quantitative field with 6-8 years of relevant experience (or Ph.D. in one of these fields with at least 5 years of relevant experience) • Hands-on experience with developing efficient scientific software on HPC systems • Deep understanding of HPC computing systems: network, processors, memory subsystems, and accelerators • Profound experience with analyzing and optimizing the performance of scientific applications on heterogeneous systems • Experience with MPI, OpenMP, and CUDA • Expertise in programming language(s) like Python and C/C++ • Familiarity with machine learning, physics-based simulation, and scientific workflow management on HPC systems • Experience with computer-aided drug design and cheminformatics a plus, but not required • Excellent written and oral communication skills, including an ability to explain complex ideas to non-specialists At TandemAI, we are committed to building a world-class team whose culture is founded on collaboration, intellectual curiosity, trust, and respect. We firmly believe that our exceptional staff will be the key to our success and are committed to high standards and rigorous science. Because of this, we are prepared to offer a competitive salary, stock options, and a wide range of benefits that include healthcare, a 401k, pre-tax commuter benefits, and a flexible work schedule 

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 Job 2: HPC system engineer (intern/full-time)

Qualifications

MS in computer science, engineering, or related technical field with 7+ years of hands-on systems administrator experience (or Ph.D. in one of these fields with 5+ years of experience)

Strong knowledge of parallel file systems and storage, networking, security, and HPC resource and job management

Hands-on experience with systems administration, monitoring, automation, and scripting/programming

Experience in database administration

Experience with job schedulers such as SLURM

Strong analytical and problem solving skills

Responsibilities

The Senior/Principle HPC System Engineer will be responsible for the configuration and operation of our HPC infrastructure and aid in efficient execution of computational workflows

Design, deploy, manage, and maintain our HPC system

Install, configure, and modify our infrastructure based on workflow needs, and participate in capacity planning

Engage in system administration and monitoring, including security, network, filesystems, and user support

Participate in workload performance benchmarking and tuning

Benefits

Because of this, we are prepared to offer a competitive salary, stock options, and a wide range of benefits that include healthcare, a 401k, pre-tax commuter benefits, and a flexible work schedule

Job description:

About TandemAI TandemAI is an advanced technology company dedicated to reinventing drug discovery infrastructure. We integrate proprietary AI-driven, high-performance computation with its efficient, large-scale in-house wet lab operations to deliver a turnkey drug discovery solution About the Role The Senior/Principle HPC System Engineer will be responsible for the configuration and operation of our HPC infrastructure and aid in efficient execution of computational workflows. This is a high-growth position, and we expect the candidate to help lead and build the system team as we scale up our computing infrastructure for accelerating drug discovery. You will: • Design, deploy, manage, and maintain our HPC system • Install, configure, and modify our infrastructure based on workflow needs, and participate in capacity planning • Engage in system administration and monitoring, including security, network, filesystems, and user support • Participate in workload performance benchmarking and tuning Qualifications • MS in computer science, engineering, or related technical field with 7+ years of hands-on systems administrator experience (or Ph.D. in one of these fields with 5+ years of experience) • Strong knowledge of parallel file systems and storage, networking, security, and HPC resource and job management • Hands-on experience with systems administration, monitoring, automation, and scripting/programming • Experience in database administration • Experience with job schedulers such as SLURM • Strong analytical and problem solving skills Desired Qualifications • Knowledge of cloud computing services like AWS and GCP • Experience with computational chemistry, molecular dynamics simulations, machine learning, and/or drug discovery • Excellent written and oral communication skills, including an ability to explain complex ideas to non-specialists At TandemAI, we are committed to building a world-class team whose culture is founded on collaboration, intellectual curiosity, trust, and respect. We firmly believe that our exceptional staff will be the key to our success and are committed to high standards and rigorous science. Because of this, we are prepared to offer a competitive salary, stock options, and a wide range of benefits that include healthcare, a 401k, pre-tax commuter benefits, and a flexible work schedule

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Bala Desinghu, PhD
Senior Scientist
Office of Advanced Research Computing (OARC)