ML-Driven Molecular Simulation Scientist for Drug Design

Alumni Ventures; San Mateo (CA); On-site; USD 110,000 - 150,000; Full time

Benefits offered by this job

Highly competitive compensation

Comprehensive health, dental, and vision insurance

Stock option eligibility

401(k) plan

Open PTO policy

Paid company holidays

Daily meals and snacks in the office

Flexible work environment

Job summary

Alumni Ventures in San Mateo, California is seeking an ML & Molecular Simulation Scientist to develop innovative methods that bridge 3D molecular simulation with machine learning. The ideal candidate will work closely with leading researchers in a team-oriented environment, contributing to key drug discovery initiatives.

The role requires expertise in molecular simulation techniques and strong programming skills in Python. A competitive compensation package, including health benefits and flexible work options, is offered.

Qualifications

• Practical experience with geometric deep learning, graph neural networks, equivariant architectures.
• Deep hands-on expertise in molecular simulation including MD and enhanced sampling methods.
• Proficiency in Python and scientific computing libraries like PyTorch, NumPy, and RDKit.

Responsibilities

• Develop and apply methods at the intersection of molecular simulation and machine learning.
• Integrate various computational approaches for drug discovery programs.
• Collaborate with teams to move molecules from hit identification to lead optimization.

Skills

3D machine learning

molecular simulation

Python programming

scientific computing libraries

Education

PhD in a related field

Tools

GROMACS

AMBER

OpenMM

NAMD

PyMOL

MOE

Job description

Alumni Ventures in San Mateo, California is seeking an ML & Molecular Simulation Scientist to develop innovative methods that bridge 3D molecular simulation with machine learning. The ideal candidate will work closely with leading researchers in a team-oriented environment, contributing to key drug discovery initiatives.

The role requires expertise in molecular simulation techniques and strong programming skills in Python. A competitive compensation package, including health benefits and flexible work options, is offered.