Want to come help us build awesome open source software for drug discovery, work with the world’s biggest distributed computing platform (Folding@home), and make GPU-accelerated free energy calculations and molecular simulations within the OpenMM ecosystem even more powerful? Enjoy working with cross-disciplinary teams of developers, and scientists to make software that powers awesome discoveries? We’re looking for software scientists to join us!
What we’re looking for:
Someone with an aptitude for Python, and potentially also C++/CUDA/OpenCL
You speak Python at a level where you are comfortable writing classes with inheritance, your own decorators and context managers, and parameterized unit tests.
Your IDE is configured with modern tooling like black autoformatting, pylint, and AI-assisted autocompletion
We make extensive use of git and GitHub: branches, forks, PRs, rebasing, cherry-picking are not foreign concepts to you
Your exploratory work happens in notebooks and you like when they look pretty
Code reviews do not sound scary but exciting
You have a passion for working together with other software developers, software scientists, and scientists to make awesome, usable tools for science; we work closely with organizations like the Molecular Sciences Software Institute (MolSSI) to jointly develop software best practices (see our own best practices and MolSSI’s ) to better enable the community to collaborate and to ensure our students and postdocs are familiar with best practices used in industry
You are excited to collaborate with other organizations like Folding@home, the Open Force Field Initiative, the Drug Design Data Resource (D3R), and the Molecular Sciences Software Institute (MolSSI)
You possess a good measure of patience in working with a variety of different kinds of people
You’re excited about contributing to some amazing scientific initiatives in open science, drug discovery, and open source software to enable this
You can ensure at least a few key hours of your workday overlap normal NYC working hours (M-F 10-5)
Other bonus (but certainly not required!) experience:
You have Python packaging experience with conda, which makes it easy to deploy tools and their dependencies (including GPU-accelerated tools). Huge bonus points if you’ve contributed to the fantastic packaging ecosystem conda forge
You have enough CI experience to be excited by GitHub Actions. Green check marks make you happy.
You have any experience with biomolecular simulation theory and/or simulation packages (especially OpenMM) is a huge plus
You have any exposure to the concepts or tools of Markov chain Monte Carlo, since a lot of our algorithms are based on these concepts
You have a degree (BS, PhD) in the physical or biosciences or computer-focused discipline, but this is certainly not required
You have some experience with cloud dev ops (e.g. AWS EC2, S3, AWS Batch) is a plus, since we’re starting to migrate some Folding@home workflows there
We’re open to people living anywhere! We’re looking to contract out remotely for the time being, with the option to hire you in-person in NYC (either initially or in the future).
How to apply:
Send an email to firstname.lastname@example.org with the following information:
Your contact information
A short note on why you’re interested A current CV or resumé
Links to a GitHub page (if you have one!) or any other
An indication of the rough compensation range you’re looking for; we’re flexible here, and will try to make things work if it looks like a good fit
We’ll start contacting promising applicants right away, but official offers will be made pending final approval of funding from MSKCC.
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