VantAI

About the Company

VantAI pairs bleeding-edge machine learning techniques with deep systems biology expertise to build computational models that uncover hidden relationships between molecules, targets, and diseases. These models power a best-in-class solution that identifies and generates new molecular entities for targets of interest, repurposes existing molecules at any stage of development, uncovers accurate ADME and toxicological insights, and predicts adverse events likely to influence trial success from deep analysis of systems-based pharmacogenomics. VantAI's in silico platform specializes in modelling complex protein-protein interactions, powering the discovery of biologics and protein degraders in addition to small-molecule drugs. It has helped leading biopharma partners launch new development programs--or revitalize old ones--at a fraction of the time and cost of traditional methods. For more information, please visit http://www.vant.ai.

Listed Jobs

Company Name

VantAI

Job Title

Computational Chemist

Job Description

**Job Title:** Computational Chemist **Role Summary:** Lead and execute small‑molecule drug discovery projects by developing and applying machine‑learning and computer‑aided drug design (CADD) tools. Collaborate with medicinal chemists, computational biologists, and ML experts to design, prioritize, and virtually screen compounds, delivering data‑driven insights that advance integrated in‑silico discovery pipelines. **Expectations:** - Deliver scalable computational solutions that meet project milestones. - Communicate design decisions and results clearly to interdisciplinary teams. - Operate autonomously while contributing to cross‑functional collaboration. - Maintain high‑quality code and adhere to best software‑development practices. **Key Responsibilities:** - Lead virtual screening campaigns (ligand‑ and structure‑based) for hit identification and optimization. - Develop and refine ML/CADD tools to support specific project needs. - Prioritize and propose small‑molecule designs in partnership with medicinal chemists. - Integrate experimental data (e.g., SPR, TSA, cell‑based assays) into screening pipelines. - Contribute to open‑source cheminformatics projects and maintain Python packages. **Required Skills:** - Strong background in rational drug design and in‑silico small‑molecule discovery. - Extensive experience with large‑scale virtual screening (structure‑ and ligand‑based). - Proficient Python programming (≥2 years) for data analysis and tool development. - Experience with open‑source cheminformatics libraries (e.g., RDKit). - Excellent written and verbal communication; ability to work in cross‑functional teams. - Problem‑solving mindset, adaptability to fast‑paced environments. **Required Education & Certifications:** - MSc or PhD in Chemistry, Computational Chemistry, Biochemistry, Chemical Engineering, or related field. - Post‑graduate experience: minimum 2 years (PhD) or 4 years (MSc) in small‑molecule drug discovery.

Boston, United states

On site

Junior

10-09-2025

Company Name

VantAI

Job Title

AI Scientist

Job Description

Job Title: AI Scientist Role Summary: Design, develop, and deploy advanced deep learning systems for drug discovery, focusing on protein, small molecule, and genomic data representations. Lead scientific innovation in large‑scale models, collaborate cross‑functionally, and publish findings. Expectations: - Deliver cutting‑edge research on Transformers, Graph Neural Nets, and CNNs for molecular imaging and sequence modeling. - Translate business objectives into high‑impact ML pipelines. - Maintain active engagement with the ML research community via conferences and publications. Key Responsibilities: - Direct end‑to‑end design, training, and evaluation of large‑scale deep learning architectures. - Develop novel training paradigms and feature‑engineering techniques leveraging domain expertise in chemistry, physics, and biology. - Collaborate with domain experts to integrate biological networks and genomics data into ML models. - Contribute to peer‑reviewed ML conferences/journals; stay current with emerging research trends. - Communicate results and model insights to technical and non‑technical stakeholders. Required Skills: - Proficient in Python and PyTorch; strong coding, debugging, and testing practices. - Experience with Linux/UNIX data engineering, scripting, and basic DevOps (CI/CD, Docker, Kubernetes). - Ability to scale training on distributed cloud platforms (Spark, Airflow, Dask, etc.). - Solid grounding in machine learning theory, especially deep learning for graphs and sequences. - Excellent written and verbal communication; capable of explaining complex models to varied audiences. Required Education & Certifications: - MS or PhD in Computer Science, Statistics, Applied Mathematics, Computational Biology, Computational Chemistry, or related field (highly qualified BS candidates also acceptable). - ≥4 years research experience in industry or academia; ≥2 years practical ML team experience, preferably at a start‑up. ---

Boston, United states

On site

Junior

10-09-2025