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let's try this again - change the job ad on the website
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zacharbake authored Dec 10, 2024
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Expand Up @@ -19,103 +19,40 @@ All OMSF positions are currently remote and we generally accept applications wor
When applying, please use the application forms linked below. Please reach out to [email protected] if you have any additional questions or need help.


## Open Free Energy: Software Scientist, Applications and Methods
## OpenADMET: Science Lead - Machine Learning Models

**Job Description**
The Open Molecular Software Foundation (OMSF) is seeking a Science Lead for the OpenADMET project (OpenADMET.org), specializing in Machine Learning Models and Active Learning Strategies.
The Science Lead will be responsible for overseeing the selection, implementation, and refinement of machine learning models and active learning strategies to drive the development of open source ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) models built from both public datasets and newly generated open ADMET datasets generated by the collaborative OpenADMET project.
This position supervises and collaborates with scientific roles on the OMSF OpenADMET team, collaborates closely with the OpenADMET technical team to aid the development of robust training and inference infrastructure, and provides domain expertise for optimizing machine learning model development and deployment.
This role is also instrumental in recruiting and liaising with a Technical Advisory Committee consisting of experts from academia and industry to advise on model strategies that maximize the utility of new open ADMET data generated by the project.
The Science Lead will work remotely in collaboration with diverse teams, primarily based in Europe, Australia, and the United States, and may require occasional travel.

This fully remote, grant-funded position has a minimum duration of 2 years, with potential for extension based on available funding.
The Science Lead will report directly to the OpenADMET Project Director.

Open Free Energy are seeking highly motivated and skilled candidates who are passionate about enhancing the development and distribution of open-source software for alchemical free energy calculations. This position is a crucial component of the project, aiming to foster a resilient open-source ecosystem.

Location: Fully remote
Learn more by reading the [detailed job description here](https://drive.google.com/file/d/1MX17Uq9HLVprgbkZZA-C1EcLFTu2v3gE/view?usp=sharing)

**Key Responsibilities**
Apply here: [Science Lead – Machine Learning Models and Active Learning](https://docs.google.com/forms/d/e/1FAIpQLSerDOf3ukmMxbFEp_wyPqokq4j8YR1pc0TlHBiY9vYXBjQzdA/viewform)

**Application Support**: Learn, develop, and assist users with best practices for performing alchemical free energy calculations in our software ecosystem.
**Method Development**: Design, develop, and maintain new software methods, applications and tools for performing alchemical free energy calculations, in alignment with our strategic objectives.
**Benchmarking and Method Validation**: Validate ongoing method and software developments through large-scale benchmarking efforts
- Work collaboratively with other software scientists to implement features, write tests, debug failures, and craft documentation to reach release milestones for open source projects owned by the effort developed openly on GitHub
- Contribute to open source software projects within the larger biomolecular simulation ecosystem when upstream contributions will help solve issues for the larger community
- Follow best practices for Python software development, including participating in code reviews, writing unit tests, and adhering to documentation standards
- Work closely with members of the Technical Advisory Committee to design software and APIs and solve problems with algorithms, methodologies, or issues with upstream tools
- Prepare comprehensive documentation and assist with training programs to onboard new users and contributors effectively
- Work to identify and solve technical or usability issues with project members and the wider user community

**Qualifications**
- Bachelor’s in Computer Science with 5 years of experience in Computational Chemistry, Master's with 3 years of experience or Ph.D. in Computer Science, Computational Chemistry, Bioinformatics, or a related field.
- Knowledge of molecular modeling and simulation.
- Strong programming skills, particularly in Python, and experience with software development in a collaborative environment.
- Excellent problem-solving, analytical, and communication skills.
## OpenADMET: Senior Scientist - Data Curation

*Preferred Qualifications*
- Experience with applying alchemical free energy calculations to biomolecular systems
- Experience developing alchemical free energy workflows and methods
- Knowledge of statistical mechanics principles relevant to alchemical free energy simulations
- Experience with conda-forge, PyPI, and other software distribution platforms.
- Familiarity with distributed computing, including traditional HPC and cloud computer environments
The Open Molecular Software Foundation (OMSF) is seeking a Senior Scientist specializing in Data Curation and Pipeline Integration for the OpenADMET project (OpenADMET.org).
This role focuses on ensuring the accuracy, quality, and accessibility of ADMET data used for machine learning applications, while developing and optimizing data workflows for seamless data ingestion, processing, and dissemination.
The Senior Scientist will collaborate with experimental scientists at Octant/UCSF and the OpenADMET team to establish best practices for data curation and workflow integration.
This includes preparing data in machine learning ready formats and managing data deposition into FAIR (Findable, Accessible, Interoperable, Reusable) repositories and ensuring the quality and reliability of all ADMET dataset classes.

#### Compensation
The base salary range for this position is USD $75,000 - $100,000 (adjusted for local employment expenses) depending on experience and qualifications.
Benefits include comprehensive healthcare, retirement contributions, and support for remote work setups.
This fully remote, grant-funded position has a minimum duration of 2 years, with potential for extension depending on available funding. Due to time zone differences, occasional meetings outside standard business hours may be necessary.
Our teams are primarily based in Europe, Australia, and the United States, and some travel may occasionally be required.
The Senior Scientist – Data Curation and Pipeline Integration will report directly to the OpenADMET project lead, while closely collaborating with the OpenADMET ML Infrastructure team, project stakeholders, and external partners.
This role is ideal for a resourceful individual eager to shape data-driven projects that advance ADMET research in a collaborative, open-source environment.

- The base salary range for this position is USD $75,000 - $100,000 (adjusted for local employment expenses) depending on experience and qualifications.
- Benefits include comprehensive healthcare, retirement contributions, and support for remote work setups.

**How to Apply**

If you are passionate about making significant contributions to open-source software and thrive in a dynamic, collaborative environment, please submit your application [**here**](https://forms.gle/GmLCdSHJRoWUC4MT6). We are eager to hear from innovators and problem-solvers who are ready to take on challenging roles in our organization.


## Open Free Energy: Senior Research Software Engineer, Infrastructure

**Job Description**

We are seeking highly motivated and skilled candidates who are passionate about enhancing the development and distribution of open-source software within the biomolecular simulation field. This position is a crucial component of the project, aiming to foster a resilient open-source ecosystem.

Location: Fully remote

#### Key Responsibilities
**Software Development and Maintenance**: Design, develop, and maintain software applications and tools for performing alchemical free energy calculations, in alignment with our strategic objectives. **Documentation and Training**: Prepare comprehensive documentation and assist with training programs to onboard new users and contributors effectively. **Optimization and Troubleshooting**: Optimize software performance and provide technical support to end-users, ensuring reliability and efficiency of software tools.

**Software Development and Maintenance**: Design, develop, and maintain software applications and tools for performing alchemical free energy calculations, in alignment with our strategic objectives.
**Documentation and Training**: Prepare comprehensive documentation and assist with training programs to onboard new users and contributors effectively.
**Optimization and Troubleshooting**: Optimize software performance and provide technical support to end-users, ensuring reliability and efficiency of software tools.
- Work collaboratively with other software scientists to implement features, write tests, debug failures, and craft documentation to reach release milestones for open source projects owned by the effort developed openly on GitHub
- Maintain our software ecosystem, overseeing the project’s CI and CD pipelines
- Design software architecture, craft APIs, and assist in defining the development roadmap
- Contribute to open source software projects within the larger biomolecular simulation ecosystem when upstream contributions will help solve issues for the larger community
- Lead the team in implementing best practices for Python software development, including participating in code reviews, writing unit tests, and adhering to documentation standards
- Work closely with members of the Technical Advisory Committee to design software and APIs and solve problems with algorithms, methodologies, or issues with tools outside the project
- Assist in benchmarking and assessment of the tools produced by the effort
- Assist in packaging software developed by the effort to minimize user friction
- Work to identify and solve technical or usability issues with project members and wider user community
- Interface with the biomolecular software ecosystem, help define standards, and identify key opportunities to fill gaps in need
- Mentor less experienced developers and drive the best practices used in development

**Qualifications**
- Master's with 6 years of experience or Ph.D. with 3 years of experience in Computer Science, Computational Chemistry, Bioinformatics, or a related field
- Knowledge of molecular modeling and simulation
- Strong programming skills, particularly in Python, and a proven record of software development in a collaborative environment
- Familiarity with software engineering best practices including CI/CD, automated code linting/formatting
- Experience designing software architecture or APIs, or a record of successful software product ownership
- Experience contributing to open source projects
- Excellent problem-solving, analytical, and communication skills

*Preferred Qualifications*
- Experience with conda-forge, PyPI, and other software distribution platforms.
- Experience with GitHub Actions
- Experience maintaining an open source project
- Familiarity with CUDA or similar parallel programming frameworks, and knowledge of cloud computing environments
- Experience with alchemical free energy calculations


**Compensation**

- The base salary range for these positions is USD $100,000 - $120,000 (adjusted for local employment expenses) depending on experience and qualifications.
- Benefits include comprehensive healthcare, retirement contributions, and support for remote work setups.

**How to Apply**

If you are passionate about making significant contributions to open-source software and thrive in a dynamic, collaborative environment, [please submit your application here.](https://forms.gle/GmLCdSHJRoWUC4MT6). We are eager to hear from innovators and problem-solvers who are ready to take on a challenging role in our organization.
Learn more by reading the [detailed job description here](https://drive.google.com/file/d/1Otm_Y6dlKoHOTFVnFEZ9wWLjQrsWvMSt/view?usp=sharing)

Apply here: [Senior Scientist - Data Curation and Pipeline Integration](https://docs.google.com/forms/d/e/1FAIpQLSerDOf3ukmMxbFEp_wyPqokq4j8YR1pc0TlHBiY9vYXBjQzdA/viewform)


## OMSF Expression of Interest

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