Machine Learning Scientist

Enveda; Boulder (CO); Remote; USD 160,000; Full time

Job summary

Enveda, a transformative company in drug discovery, seeks a Machine Learning Scientist to innovate in the use of natural compounds for medicine. The role demands expertise in machine learning, particularly in structure prediction tasks, and offers a competitive salary in a dynamic remote environment with strong values on collaboration and innovation.

Benefits

90% Medical, Dental, Vision

401k Match

Flexible PTO

Adoption Assistance

Qualifications

• Ph.D. in Machine Learning, Computational Chemistry, or related field.
• Experience developing/evaluating ML models with a focus on structure prediction.
• Fluency in Python data science stack.

Responsibilities

• Collaborate with team on molecular structure predictions and drug discovery.
• Develop in-house ML models to predict molecular structures.
• Design benchmarking pipelines for structure prediction tools.

Skills

Machine Learning

Computational Chemistry

Bioinformatics

Python

Deep Learning

Education

Ph.D. or equivalent research experience

Tools

PyTorch

Job description

Let’s build the future of medicine—together.

Join Enveda as a Machine Learning Scientist and help us transform natural compounds into life-changing medicines. We’re a team driven by curiosity and innovation—are you ready to make a difference?

Remote | Full-time | $160,000 USD |

What Makes Us Enveda

Life is smart, and we can learn from it. We’re reinventing drug discovery by harnessing nature’s intelligence. Our platform identifies new medicines four times faster than the industry standard—because patients can’t wait. What sets Enveda apart isn’t just what we do—it’s how we do it. Our culture is built on creativity, collaboration, and deep respect for each other. We believe “People Create All Value”, and our success is driven by the extraordinary team turning our mission into reality every day.

We’re proud of the momentum we’ve built:

Jan 2024: Named a LinkedIn “Top Startup to Watch”

Mar 2024: Forbes America’s Best Startup Employers

Oct 2024: First drug to Phase 1 Clinical Trials

Dec 2024: Raised a $130M Series C

These milestones reflect the impact of our team and we’re just getting started, but they’re only possible because of the diverse talent, perspectives, and relentless drive of our team, and people like you.

Your Role in Our Mission

At Enveda, every role drives impact. As a Machine Learning Scientist, you’ll be at the forefront of delivering hope to patients everywhere. Your expertise in machine learning will be critical in accelerating our mission to elucidate molecular structure from mass spectrometric data —because every breakthrough starts with bold questions and brave actions.

What You’ll Do

• Collaborate with fellow machine learning scientists to advance the frontiers of molecular structure prediction and accelerate drug discovery from natural products.
• Contribute to open-ended R&D exploring new representations, architectures, and learning paradigms for fragment-based and spectrum-to-structure prediction tasks.
• Develop and refine in-house ML models to predict molecular structures from MS2 spectra, leveraging cutting-edge approaches in deep learning and massive, proprietary mass spectrometric datasets.
• Design and execute benchmarking pipelines for structure prediction tools and assess their utility in real-world discovery scenarios.
• Work closely with our biologists, chemists, and engineers to enable closed-loop model validation and help drive Enveda's mission to discover new medicines from nature.

We’re Looking For:

• Ph.D. or equivalent research experience in Machine Learning, Computational Chemistry, Bioinformatics, Computer Science, or a related field.
• Demonstrated experience developing and evaluating ML models with a preference for familiarity with structure prediction, spectral analysis, or molecular representation learning.
• Fluency in the Python data science and ML stack including ML frameworks such as PyTorch.
• A track record of collaborative, cross-disciplinary research, particularly at the interface of ML and the life sciences.
• Strong written and verbal communication skills, including experience publishing scientific work or presenting technical findings.

If you’re passionate about innovation and impact, we encourage you to apply—even if you don’t meet every requirement.

Our Values: Curiosity | Agency | Journey | Charity | Unity

Benefits: 90% Medical, Dental, Vision | 401k Match | Flexible PTO | Adoption Assistance

At Enveda, we’re building a place where everyone can do the best work of their life. We are an equal opportunity employer and value diversity in all its forms. Apply now and join a team committed to shaping the future of drug discovery.