Chemical data scientist

Variational AI; Vancouver; On-site; CAD 75,000 - 95,000; Full time

Job summary

Variational AI in Vancouver seeks a Chemical Data Scientist to accelerate drug development through machine learning. The ideal candidate will curate and analyze datasets, and apply cheminformatics techniques, working alongside experts in the field. Applicants should have advanced degrees in relevant disciplines, strong programming skills in Python, and familiarity with cheminformatics libraries. The position offers a hybrid work environment and competitive compensation for individuals based in North American time zones.

Qualifications

• Experience analyzing messy datasets.
• Skill with chemical informatics for dataset aggregation.
• Strong programming skills and experience with cheminformatics libraries.

Responsibilities

• Identify, curate, and prepare datasets for analysis.
• Characterize errors and develop techniques to clean datasets.
• Integrate chemical data into machine learning algorithms.

Skills

Python

Cheminformatics

Data Analysis

SQL

Machine Learning

Statistics

Education

B.S., M.S., or Ph.D. in data science or related discipline

B.S., M.S., or Ph.D. in chemistry or a related discipline

Tools

RDKit

Matplotlib

pandas

seaborn

Job description

VANCOUVER, BC (OR REMOTE IN CANADA) / FULL TIME

Variational AI is radically accelerating the development of promising drug candidates by integrating chemistry and pharmacology expertise with the state‑of‑the‑art in machine learning. Traditional approaches to small molecule drug discovery require over ten years and two billion dollars, and their reliance on trial‑and‑error calls out for better predictive and generative models. The current industry standard has progressed little beyond shallow ML techniques and simple graph neural networks, largely due to the difficulty of integrating world‑class machine learning research with traditional chemistry and pharmacology approaches. Variational AI is building a generative foundation model for molecular structure and properties from the ground up. Over the past five years, we have been advancing the state‑of‑the‑art, and delivering projects to customers including Merck, Rakovina Therapeutics, and ImmVue Therapeutics.

We are searching for a chemical data scientist / cheminformatician to join us in our quest to radically accelerate the development of new drugs through machine learning excellence. You will help:

• identify, curate, and prepare datasets, ranging from potency and ADMET to gene expression and cell painting;
• characterize errors and noise in datasets, and develop techniques to filter and clean them;
• analyze curated datasets and integrate chemical data into our machine learning algorithms by designing data loaders;
• develop ligand‑and structure‑based featurizations; and
• apply traditional cheminformatics techniques.

In this process, you will have the opportunity to build your skills by collaborating with our team of accomplished ML scientists, computational chemists, and medicinal chemists.

Here is the background we’re looking for:

• B.S., M.S., or Ph.D. in data science, statistics, computer science, physics, or related discipline, with experience analyzing messy datasets; and
• B.S., M.S., or Ph.D. in chemistry or a related discipline, with experience in cheminformatics.
• Demonstrated skill with chemical informatics including the aggregation, curation, and preparation of large experimental datasets from multiple sources.
• Strong programming skills in Python and experience with cheminformatics libraries and data analysis tools, including RDKit, Matplotlib, pandas, and seaborn. SQL experience preferred.
• Two or more years’ experience working in small molecule drug discovery is preferred.
• Intellectual curiosity and drive to excel.

We are an equal opportunity employer and enthusiastically welcome applications from women, BIPOC, LGBTQ+, and members of underrepresented communities and groups. Compensation is a competitive mix of cash and options. We aim to offer competitive compensation aligned with each candidate’s experience, impact potential, and location. We prioritize expertise and passion over where you decide to live and work; however, for collaboration across our team, applicants must be based in North American time zones. For those candidates that live in the Greater Vancouver Area, we offer a hybrid work environment.